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

C21H25ClN2O2 — CID 132656033

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

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

2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide (PubChem CID 132656033) 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-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
PubChem CID132656033
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-3-23-21(26)16(2)24(15-18-11-7-8-12-19(18)22)20(25)14-13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyBIBNYCURWMOOOE-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-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132705664
2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132668608
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670433
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535585
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100556959
(2R)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100554862
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132656034
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132664737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide (CID 132656033) is 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide?
The InChIKey is BIBNYCURWMOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-23-21(26)16(2)24(15-18-11-7-8-12-19(18)22)20(25)14-13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide?
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide 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-ethylpropanamide is sourced from PubChem (CID 132656033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).