2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide

C21H25ClN2O2 — CID 132656034

IUPAC2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-3-19(21(26)23-2)24(15-17-11-7-8-12-18(17)22)20(25)14-13-16-9-5-4-6-10-16/h4-12,19H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyVHDRLYANDBXMPL-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.83
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide

2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide (PubChem CID 132656034) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
PubChem CID132656034
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-3-19(21(26)23-2)24(15-17-11-7-8-12-18(17)22)20(25)14-13-16-9-5-4-6-10-16/h4-12,19H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyVHDRLYANDBXMPL-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132611138
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132663006
2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132650062
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132659746
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100568172
(2S)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100569635
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132714894
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
CID 100542315
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132661961
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132705664
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
(2R)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100717397

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide (CID 132656034) is 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide?
The InChIKey is VHDRLYANDBXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-19(21(26)23-2)24(15-17-11-7-8-12-18(17)22)20(25)14-13-16-9-5-4-6-10-16/h4-12,19H,3,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide?
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide has a molecular weight of 372.90 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide is sourced from PubChem (CID 132656034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).