4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C22H25ClN2O2 — CID 112802698

IUPAC4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C22H25ClN2O2/c1-25(19-9-5-6-10-19)22(27)20(15-16-7-3-2-4-8-16)24-21(26)17-11-13-18(23)14-12-17/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,24,26)
InChIKeyHYTBBFYZUOEPOY-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.08
Rot. Bonds6

About 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 112802698) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID112802698
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C22H25ClN2O2/c1-25(19-9-5-6-10-19)22(27)20(15-16-7-3-2-4-8-16)24-21(26)17-11-13-18(23)14-12-17/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,24,26)
InChIKeyHYTBBFYZUOEPOY-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119552464
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CID 56549123
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
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CID 98773849
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
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CID 146125938
3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
CID 75390611
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CID 56571003
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 112802698) is 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is CN(C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is HYTBBFYZUOEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-25(19-9-5-6-10-19)22(27)20(15-16-7-3-2-4-8-16)24-21(26)17-11-13-18(23)14-12-17/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[cyclopentyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 112802698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).