4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide

C18H21ClN2O — CID 120560763

IUPAC4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-13(20)10-11-17(22)21-18(14-6-3-2-4-7-14)15-8-5-9-16(19)12-15/h2-9,12-13,18H,10-11,20H2,1H3,(H,21,22)
InChIKeyQVVMOJBFRWNEAH-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.67
Rot. Bonds6

About 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide

4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide (PubChem CID 120560763) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
PubChem CID120560763
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-13(20)10-11-17(22)21-18(14-6-3-2-4-7-14)15-8-5-9-16(19)12-15/h2-9,12-13,18H,10-11,20H2,1H3,(H,21,22)
InChIKeyQVVMOJBFRWNEAH-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120208
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
1-(N'-chlorocarbamimidoyl)-3-[(3-chlorophenyl)-phenylmethyl]urea
CID 139913480
4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
CID 81371649
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide?
The IUPAC name of 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide (CID 120560763) is 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide?
The canonical SMILES for 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide is CC(N)CCC(=O)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide?
The InChIKey is QVVMOJBFRWNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(20)10-11-17(22)21-18(14-6-3-2-4-7-14)15-8-5-9-16(19)12-15/h2-9,12-13,18H,10-11,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide?
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide has a molecular weight of 316.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide is sourced from PubChem (CID 120560763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).