2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide

C15H23ClN2O — CID 54928444

IUPAC2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-9-15(3,17)14(19)18-11(2)10-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyDDJMHFQVZAQVLC-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide

2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide (PubChem CID 54928444) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
PubChem CID54928444
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-9-15(3,17)14(19)18-11(2)10-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyDDJMHFQVZAQVLC-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-amino-N-[1-(2-bromophenyl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119814308
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
CID 65226183
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119716790
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119756789
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide (CID 54928444) is 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)NC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide?
The InChIKey is DDJMHFQVZAQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-9-15(3,17)14(19)18-11(2)10-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide?
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide is sourced from PubChem (CID 54928444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).