4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide

C18H21ClN2O — CID 120562027

IUPAC4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(20)6-11-18(22)21-12-15-4-2-3-5-17(15)14-7-9-16(19)10-8-14/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22)
InChIKeyYRPMREIBFCGRNY-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.75
Rot. Bonds6

About 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide

4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide (PubChem CID 120562027) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
PubChem CID120562027
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(20)6-11-18(22)21-12-15-4-2-3-5-17(15)14-7-9-16(19)10-8-14/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22)
InChIKeyYRPMREIBFCGRNY-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110923275
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide (CID 120562027) is 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide is CC(N)CCC(=O)NCc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide?
The InChIKey is YRPMREIBFCGRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(20)6-11-18(22)21-12-15-4-2-3-5-17(15)14-7-9-16(19)10-8-14/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide?
4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide has a molecular weight of 316.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 120562027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).