3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide

C18H19ClN2O2 — CID 17401242

IUPAC3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12-15(19)9-6-10-16(12)21-18(23)11-17(20-13(2)22)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMBDFHNYQHYVBEM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.85
Rot. Bonds5

About 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide

3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide (PubChem CID 17401242) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
PubChem CID17401242
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-12-15(19)9-6-10-16(12)21-18(23)11-17(20-13(2)22)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMBDFHNYQHYVBEM-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
CID 2555292
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide (CID 17401242) is 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1cccc(Cl)c1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide?
The InChIKey is MBDFHNYQHYVBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-15(19)9-6-10-16(12)21-18(23)11-17(20-13(2)22)14-7-4-3-5-8-14/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide?
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.85, 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-chloro-2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 17401242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).