N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

C13H16Cl2N2O2 — CID 40804285

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C13H16Cl2N2O2/c1-7(2)5-11(12(16)18)17-13(19)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyDTJRGYLJNAYDDM-NSHDSACASA-N
MW303.19 g/mol
LogP2.62
Rot. Bonds5

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (PubChem CID 40804285) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
PubChem CID40804285
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C13H16Cl2N2O2/c1-7(2)5-11(12(16)18)17-13(19)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyDTJRGYLJNAYDDM-NSHDSACASA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
cyanomethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoate
CID 7169258
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
[2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoate
CID 8847062
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-[1-[(3,4-difluorophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55558112
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (CID 40804285) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is DTJRGYLJNAYDDM-NSHDSACASA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-7(2)5-11(12(16)18)17-13(19)9-4-3-8(14)6-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 303.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 40804285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).