2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide

C21H25ClN2O2 — CID 132656017

IUPAC2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-13-23-21(26)16(2)24(15-18-7-5-4-6-8-18)20(25)14-17-9-11-19(22)12-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyHWJWLMRZBPLVFB-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.83
Rot. Bonds8

About 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide

2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide (PubChem CID 132656017) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
PubChem CID132656017
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-3-13-23-21(26)16(2)24(15-18-7-5-4-6-8-18)20(25)14-17-9-11-19(22)12-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)
InChIKeyHWJWLMRZBPLVFB-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-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520058
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100558894
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133149478
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132661956
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705678

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide (CID 132656017) is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is HWJWLMRZBPLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-13-23-21(26)16(2)24(15-18-7-5-4-6-8-18)20(25)14-17-9-11-19(22)12-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide?
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide 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-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132656017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).