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

C15H21ClN2O2 — CID 133149261

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-9-17-15(20)11(2)18(12(3)19)10-13-5-7-14(16)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyBELVSBBJNJFRHD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.60
Rot. Bonds6

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

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide (PubChem CID 133149261) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
PubChem CID133149261
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-9-17-15(20)11(2)18(12(3)19)10-13-5-7-14(16)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyBELVSBBJNJFRHD-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.60
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-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
N-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfanyl-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132677022
2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665364
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132671067
2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132667059
2-[(4-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665863
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133149381
2-[(4-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
CID 132674687
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 133212988

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide (CID 133149261) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide?
The InChIKey is BELVSBBJNJFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-9-17-15(20)11(2)18(12(3)19)10-13-5-7-14(16)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide is sourced from PubChem (CID 133149261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).