4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C21H20BrF3N2O2 — CID 112815054

IUPAC4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1
InChIInChI=1S/C21H20BrF3N2O2/c22-16-5-3-4-15(12-16)20(10-1-2-11-20)19(29)27-17-8-6-14(7-9-17)18(28)26-13-21(23,24)25/h3-9,12H,1-2,10-11,13H2,(H,26,28)(H,27,29)
InChIKeyKQWJHSRRSIPJCY-UHFFFAOYSA-N
MW469.30 g/mol
LogP5.19
Rot. Bonds5

About 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 112815054) has the molecular formula C21H20BrF3N2O2 and a molecular weight of 469.30 g/mol. Its IUPAC name is 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID112815054
Molecular FormulaC21H20BrF3N2O2
Molecular Weight469.30 g/mol
Exact Mass468.07
IUPAC Name4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1
InChIInChI=1S/C21H20BrF3N2O2/c22-16-5-3-4-15(12-16)20(10-1-2-11-20)19(29)27-17-8-6-14(7-9-17)18(28)26-13-21(23,24)25/h3-9,12H,1-2,10-11,13H2,(H,26,28)(H,27,29)
InChIKeyKQWJHSRRSIPJCY-UHFFFAOYSA-N
XLogP5.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.30
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
CID 45435122
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120622725
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 112815054) is 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1.
What is the InChIKey of 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KQWJHSRRSIPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N2O2/c22-16-5-3-4-15(12-16)20(10-1-2-11-20)19(29)27-17-8-6-14(7-9-17)18(28)26-13-21(23,24)25/h3-9,12H,1-2,10-11,13H2,(H,26,28)(H,27,29).
What are the key properties of 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 469.30 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 112815054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).