2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide

C19H20BrNO — CID 985964

IUPAC2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
SMILESO=C(N[C@H](c1ccccc1)C1CCCC1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO/c20-17-13-7-6-12-16(17)19(22)21-18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22)/t18-/m1/s1
InChIKeySUOUKQXMJVMRGK-GOSISDBHSA-N
MW358.28 g/mol
LogP5.11
Rot. Bonds4

About 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide

2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide (PubChem CID 985964) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
PubChem CID985964
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
SMILESO=C(N[C@H](c1ccccc1)C1CCCC1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO/c20-17-13-7-6-12-16(17)19(22)21-18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22)/t18-/m1/s1
InChIKeySUOUKQXMJVMRGK-GOSISDBHSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
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N-[(R)-cyclopentyl(phenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
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4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
CID 7447883
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
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CID 110286741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide (CID 985964) is 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide is O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide?
The InChIKey is SUOUKQXMJVMRGK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-17-13-7-6-12-16(17)19(22)21-18(15-10-4-5-11-15)14-8-2-1-3-9-14/h1-3,6-9,12-13,15,18H,4-5,10-11H2,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide?
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide has a molecular weight of 358.28 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide is sourced from PubChem (CID 985964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).