2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide

C13H19ClN2O — CID 43515242

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-9(2)12(15)13(17)16-8-10-5-4-6-11(14)7-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCKEKGKDCUVWYKT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide

2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide (PubChem CID 43515242) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
PubChem CID43515242
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-9(2)12(15)13(17)16-8-10-5-4-6-11(14)7-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyCKEKGKDCUVWYKT-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide (CID 43515242) is 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
The InChIKey is CKEKGKDCUVWYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-9(2)12(15)13(17)16-8-10-5-4-6-11(14)7-10/h4-7,9,12H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide?
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide has a molecular weight of 254.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 43515242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).