4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide

C22H25ClN2O2 — CID 11839733

IUPAC4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CC1CCCC1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C22H25ClN2O2/c23-19-11-10-18(22(27)24-13-12-16-6-2-1-3-7-16)15-20(19)25-21(26)14-17-8-4-5-9-17/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,24,27)(H,25,26)
InChIKeyWKBMSYVVZRHOFO-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.83
Rot. Bonds7

About 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide

4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide (PubChem CID 11839733) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
PubChem CID11839733
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
SMILESO=C(CC1CCCC1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C22H25ClN2O2/c23-19-11-10-18(22(27)24-13-12-16-6-2-1-3-7-16)15-20(19)25-21(26)14-17-8-4-5-9-17/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,24,27)(H,25,26)
InChIKeyWKBMSYVVZRHOFO-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 1228449
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-cyclobutylacetamide
CID 103166180
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
CID 172665679
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide (CID 11839733) is 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide is O=C(CC1CCCC1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide?
The InChIKey is WKBMSYVVZRHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-11-10-18(22(27)24-13-12-16-6-2-1-3-7-16)15-20(19)25-21(26)14-17-8-4-5-9-17/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide?
4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 11839733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).