(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide

C23H29ClN2O2 — CID 100542315

IUPAC(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-3-16-25-23(28)21(4-2)26(17-18-10-6-5-7-11-18)22(27)15-14-19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyYVTJZMJVXPURDN-OAQYLSRUSA-N
MW400.95 g/mol
LogP4.61
Rot. Bonds10

About (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide

(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide (PubChem CID 100542315) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
PubChem CID100542315
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-3-16-25-23(28)21(4-2)26(17-18-10-6-5-7-11-18)22(27)15-14-19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyYVTJZMJVXPURDN-OAQYLSRUSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propylpropanamide
CID 132618944
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661437
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide
CID 132612672
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100568172
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propylpropanamide
CID 132618943
(2S)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100569635
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylbutanamide
CID 132670478
N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132986806
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576993
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535585
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
(2S)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100570597

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide (CID 100542315) is (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide?
The InChIKey is YVTJZMJVXPURDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-3-16-25-23(28)21(4-2)26(17-18-10-6-5-7-11-18)22(27)15-14-19-12-8-9-13-20(19)24/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide?
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide has a molecular weight of 400.95 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100542315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).