2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide

C16H23ClN2O — CID 17485820

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)18-15-5-3-4-6-15)19(2)11-13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyDFRPFFFYLGJDBS-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.22
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide

2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide (PubChem CID 17485820) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
PubChem CID17485820
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)18-15-5-3-4-6-15)19(2)11-13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyDFRPFFFYLGJDBS-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594722
2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196382
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 132614825
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
2-[(4-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-cyclohexylpropanamide
CID 132616694
2-[(4-chlorophenyl)methyl-[3-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-cyclohexylpropanamide
CID 132618490
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide (CID 17485820) is 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide?
The InChIKey is DFRPFFFYLGJDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(16(20)18-15-5-3-4-6-15)19(2)11-13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 17485820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).