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

C20H23ClN2O2 — CID 132761704

IUPAC2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(20(25)22-2)23(14-17-9-6-10-18(21)13-17)19(24)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZUCBVNKNBVNTCI-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds7

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

2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide (PubChem CID 132761704) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
PubChem CID132761704
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(20(25)22-2)23(14-17-9-6-10-18(21)13-17)19(24)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZUCBVNKNBVNTCI-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100618757
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100615935
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
N-[(3-chlorophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100616508
2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132762509
2-[(2-benzylsulfanylacetyl)-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132763140
(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100645054
(2R)-2-[(3-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100614123
(2S)-2-[(3-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100643653
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133239326
2-[(3-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-methylpropanamide
CID 132763129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide (CID 132761704) is 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide?
The InChIKey is ZUCBVNKNBVNTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(20(25)22-2)23(14-17-9-6-10-18(21)13-17)19(24)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide?
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132761704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).