(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone

C65H48Br3F15N8O5 — CID 172916750

IUPAC(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESC/C(=N\Nc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1.CC(=O)c1ccc(OC(F)(F)F)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2c1.FC(F)(F)Oc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1.NNc1ccc(Br)cc1
InChIInChI=1S/C20H13F6N3O.C15H12BrF3N2O.C15H9BrF3NO.C9H7F3O2.C6H7BrN2/c1-29-17(10-18(28-29)19(21,22)23)12-4-7-15-13(8-12)9-16(27-15)11-2-5-14(6-3-11)30-20(24,25)26;1-10(20-21-13-6-4-12(16)5-7-13)11-2-8-14(9-3-11)22-15(17,18)19;16-11-3-6-13-10(7-11)8-14(20-13)9-1-4-12(5-2-9)21-15(17,18)19;1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;7-5-1-3-6(9-8)4-2-5/h2-10,27H,1H3;2-9,21H,1H3;1-8,20H;2-5H,1H3;1-4,9H,8H2/b;20-10+;;;
InChIKeyNNMZUZMKVQTRPB-ZQMMHFKKSA-N
MW1545.83 g/mol
LogP21.36
Rot. Bonds12

About (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone

(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 172916750) has the molecular formula C65H48Br3F15N8O5 and a molecular weight of 1545.83 g/mol. Its IUPAC name is (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID172916750
Molecular FormulaC65H48Br3F15N8O5
Molecular Weight1545.83 g/mol
Exact Mass1542.11
IUPAC Name(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESC/C(=N\Nc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1.CC(=O)c1ccc(OC(F)(F)F)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2c1.FC(F)(F)Oc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1.NNc1ccc(Br)cc1
InChIInChI=1S/C20H13F6N3O.C15H12BrF3N2O.C15H9BrF3NO.C9H7F3O2.C6H7BrN2/c1-29-17(10-18(28-29)19(21,22)23)12-4-7-15-13(8-12)9-16(27-15)11-2-5-14(6-3-11)30-20(24,25)26;1-10(20-21-13-6-4-12(16)5-7-13)11-2-8-14(9-3-11)22-15(17,18)19;16-11-3-6-13-10(7-11)8-14(20-13)9-1-4-12(5-2-9)21-15(17,18)19;1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;7-5-1-3-6(9-8)4-2-5/h2-10,27H,1H3;2-9,21H,1H3;1-8,20H;2-5H,1H3;1-4,9H,8H2/b;20-10+;;;
InChIKeyNNMZUZMKVQTRPB-ZQMMHFKKSA-N
XLogP21.36
TPSA165.83 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001545.83
LogP ≤ 521.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
2-[5-[2-[amino-[(Z)-2-amino-1-[4-(trifluoromethoxy)phenyl]ethenyl]amino]-4-bromophenyl]-1-methylpyrazol-3-yl]-2,2-difluoroacetic acid
CID 144721010
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
4-[[[1-methyl-5-(2-pyrimidin-4-yl-1H-indol-5-yl)pyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 86766582
ethyl 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(trifluoromethylsulfonyloxy)-1H-indole-3-carboxylate
CID 87246542
(6-bromonaphthalen-2-yl) 4-(trifluoromethoxy)benzoate
CID 3327214
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 126440780
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone (CID 172916750) is (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone is C/C(=N\Nc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1.CC(=O)c1ccc(OC(F)(F)F)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2c1.FC(F)(F)Oc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1.NNc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is NNMZUZMKVQTRPB-ZQMMHFKKSA-N. The full InChI is InChI=1S/C20H13F6N3O.C15H12BrF3N2O.C15H9BrF3NO.C9H7F3O2.C6H7BrN2/c1-29-17(10-18(28-29)19(21,22)23)12-4-7-15-13(8-12)9-16(27-15)11-2-5-14(6-3-11)30-20(24,25)26;1-10(20-21-13-6-4-12(16)5-7-13)11-2-8-14(9-3-11)22-15(17,18)19;16-11-3-6-13-10(7-11)8-14(20-13)9-1-4-12(5-2-9)21-15(17,18)19;1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;7-5-1-3-6(9-8)4-2-5/h2-10,27H,1H3;2-9,21H,1H3;1-8,20H;2-5H,1H3;1-4,9H,8H2/b;20-10+;;;.
What are the key properties of (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone?
(4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 1545.83 g/mol, XLogP of 21.36, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)hydrazine;4-bromo-N-[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]aniline;5-bromo-2-[4-(trifluoromethoxy)phenyl]-1H-indole;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[4-(trifluoromethoxy)phenyl]-1H-indole;1-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 172916750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).