N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide

C12H15ClN2O2 — CID 70989888

IUPACN-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)C(C)C(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-7(11(14)16)8(2)15-12(17)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyDBUIXZMAGAYSTC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds4

About N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide

N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide (PubChem CID 70989888) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
PubChem CID70989888
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)C(C)C(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-7(11(14)16)8(2)15-12(17)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyDBUIXZMAGAYSTC-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54104367
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3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
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3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
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N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
3-chloro-N-(5-chloropentan-2-yl)benzamide
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3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
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CID 70987923

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide?
The IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide (CID 70989888) is N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide?
The canonical SMILES for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide is CC(NC(=O)c1cccc(Cl)c1)C(C)C(N)=O.
What is the InChIKey of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide?
The InChIKey is DBUIXZMAGAYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7(11(14)16)8(2)15-12(17)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide?
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide has a molecular weight of 254.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide is sourced from PubChem (CID 70989888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).