(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

C17H14BrCl2NO2 — CID 1397404

IUPAC(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H14BrCl2NO2/c1-10-7-12(18)4-5-15(10)21-16(22)6-3-11-8-13(19)9-14(20)17(11)23-2/h3-9H,1-2H3,(H,21,22)/b6-3+
InChIKeySOUNVOIEOFNZDX-ZZXKWVIFSA-N
MW415.11 g/mol
LogP5.72
Rot. Bonds4

About (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 1397404) has the molecular formula C17H14BrCl2NO2 and a molecular weight of 415.11 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
PubChem CID1397404
Molecular FormulaC17H14BrCl2NO2
Molecular Weight415.11 g/mol
Exact Mass412.96
IUPAC Name(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H14BrCl2NO2/c1-10-7-12(18)4-5-15(10)21-16(22)6-3-11-8-13(19)9-14(20)17(11)23-2/h3-9H,1-2H3,(H,21,22)/b6-3+
InChIKeySOUNVOIEOFNZDX-ZZXKWVIFSA-N
XLogP5.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.11
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1396132
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326
N-[4-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]-2-methylphenyl]furan-2-carboxamide
CID 1291185
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 1395089
3-(3,5-dichloro-2-methoxyphenyl)-N-(1,2-dihydroacenaphthylen-5-yl)prop-2-enamide
CID 3922854
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
CID 6147507
(E)-N-(4-bromo-2-methylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552238
3-(3,5-dichloro-2-methoxyphenyl)-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 3248485

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (CID 1397404) is (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is SOUNVOIEOFNZDX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H14BrCl2NO2/c1-10-7-12(18)4-5-15(10)21-16(22)6-3-11-8-13(19)9-14(20)17(11)23-2/h3-9H,1-2H3,(H,21,22)/b6-3+.
What are the key properties of (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide has a molecular weight of 415.11 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1397404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).