3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide

C20H23ClN2O2 — CID 134035215

IUPAC3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
SMILESCCC(NC(=O)CC(NC(C)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-3-18(16-10-7-11-17(21)12-16)23-20(25)13-19(22-14(2)24)15-8-5-4-6-9-15/h4-12,18-19H,3,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOURMBMDHOXJYCW-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.17
Rot. Bonds7

About 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide

3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide (PubChem CID 134035215) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
PubChem CID134035215
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
SMILESCCC(NC(=O)CC(NC(C)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-3-18(16-10-7-11-17(21)12-16)23-20(25)13-19(22-14(2)24)15-8-5-4-6-9-15/h4-12,18-19H,3,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOURMBMDHOXJYCW-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
CID 110676844
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
[1-[[3-acetamido-3-(3-chlorophenyl)propanoyl]amino]-2-(3-methylphenyl)ethyl]boronic acid
CID 123587024
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide (CID 134035215) is 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide is CCC(NC(=O)CC(NC(C)=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide?
The InChIKey is OURMBMDHOXJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-18(16-10-7-11-17(21)12-16)23-20(25)13-19(22-14(2)24)15-8-5-4-6-9-15/h4-12,18-19H,3,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide?
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide has a molecular weight of 358.87 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-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 134035215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).