2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide

C13H18Cl2N2O — CID 69170793

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)11(15)6-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyPEXFVRNYJLVZBF-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.98
Rot. Bonds5

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide

2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide (PubChem CID 69170793) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
PubChem CID69170793
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)11(15)6-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyPEXFVRNYJLVZBF-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119720753
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide (CID 69170793) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide?
The InChIKey is PEXFVRNYJLVZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-8(2)12(16)13(18)17-7-9-4-5-10(14)11(15)6-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide?
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide has a molecular weight of 289.21 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 69170793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).