3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide

C21H23ClN2O2 — CID 46691683

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-14(25)23-19(15-9-11-18(22)12-10-15)13-20(26)24-21(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17,19,21H,7-8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQUNXGKKQEDFTMK-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.17
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide (PubChem CID 46691683) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
PubChem CID46691683
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-14(25)23-19(15-9-11-18(22)12-10-15)13-20(26)24-21(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17,19,21H,7-8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQUNXGKKQEDFTMK-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55541254
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
(3S)-3-acetamido-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenylpropanamide
CID 8590083
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide (CID 46691683) is 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide is CC(=O)NC(CC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide?
The InChIKey is QUNXGKKQEDFTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(25)23-19(15-9-11-18(22)12-10-15)13-20(26)24-21(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17,19,21H,7-8,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide is sourced from PubChem (CID 46691683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).