4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide

C21H25ClN2O2 — CID 55334565

IUPAC4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-15(2)14-19(24-20(25)17-8-10-18(22)11-9-17)21(26)23-13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAYGSVSRIEDOIAE-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.84
Rot. Bonds8

About 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide (PubChem CID 55334565) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
PubChem CID55334565
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-15(2)14-19(24-20(25)17-8-10-18(22)11-9-17)21(26)23-13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAYGSVSRIEDOIAE-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)pentan-2-yl]benzamide
CID 55554912
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
N-[(2S)-1-[2-[[(2S)-4-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]pentanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-prop-1-en-2-ylbenzamide
CID 59991160
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide (CID 55334565) is 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
The InChIKey is AYGSVSRIEDOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15(2)14-19(24-20(25)17-8-10-18(22)11-9-17)21(26)23-13-12-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 55334565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).