3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide

C17H16Cl2N2O2 — CID 24638755

IUPAC3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)20-16(12-5-3-2-4-6-12)10-17(23)21-13-7-8-14(18)15(19)9-13/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHMEUGSAVSFLJBZ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.20
Rot. Bonds5

About 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide

3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide (PubChem CID 24638755) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
PubChem CID24638755
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11(22)20-16(12-5-3-2-4-6-12)10-17(23)21-13-7-8-14(18)15(19)9-13/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyHMEUGSAVSFLJBZ-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide (CID 24638755) is 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
The InChIKey is HMEUGSAVSFLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(22)20-16(12-5-3-2-4-6-12)10-17(23)21-13-7-8-14(18)15(19)9-13/h2-9,16H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide?
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide has a molecular weight of 351.23 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 24638755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).