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

C12H18Cl2N2O — CID 120558722

IUPAC4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9(14)6-7-12(16)15-8-10-4-2-3-5-11(10)13;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyRNGRBCBLYVIWFC-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.51
Rot. Bonds5

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

4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride (PubChem CID 120558722) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
PubChem CID120558722
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9(14)6-7-12(16)15-8-10-4-2-3-5-11(10)13;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyRNGRBCBLYVIWFC-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
CID 120562027
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
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-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride (CID 120558722) is 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCc1ccccc1Cl.Cl.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride?
The InChIKey is RNGRBCBLYVIWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-9(14)6-7-12(16)15-8-10-4-2-3-5-11(10)13;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).