1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide

C22H18BrClN2O2 — CID 55804460

IUPAC1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C22H18BrClN2O2/c23-17-6-3-5-16(12-17)22(10-11-22)21(28)25-18-8-9-20(27)26(14-18)13-15-4-1-2-7-19(15)24/h1-9,12,14H,10-11,13H2,(H,25,28)
InChIKeyZEQSZHFDIFVMTR-UHFFFAOYSA-N
MW457.76 g/mol
LogP4.98
Rot. Bonds5

About 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 55804460) has the molecular formula C22H18BrClN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID55804460
Molecular FormulaC22H18BrClN2O2
Molecular Weight457.76 g/mol
Exact Mass456.02
IUPAC Name1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C22H18BrClN2O2/c23-17-6-3-5-16(12-17)22(10-11-22)21(28)25-18-8-9-20(27)26(14-18)13-15-4-1-2-7-19(15)24/h1-9,12,14H,10-11,13H2,(H,25,28)
InChIKeyZEQSZHFDIFVMTR-UHFFFAOYSA-N
XLogP4.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.76
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-bromophenyl)-3-[[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166344502
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 55804557
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 46494415
ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
CID 47059053
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 46494483
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
CID 55804143
(2S)-2-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylpentanamide;hydrochloride
CID 119723887
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55804082
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55804308

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide (CID 55804460) is 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ZEQSZHFDIFVMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O2/c23-17-6-3-5-16(12-17)22(10-11-22)21(28)25-18-8-9-20(27)26(14-18)13-15-4-1-2-7-19(15)24/h1-9,12,14H,10-11,13H2,(H,25,28).
What are the key properties of 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 457.76 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55804460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).