2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide

C12H15ClN2O2 — CID 47263248

IUPAC2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7(2)11(16)15-8-4-5-10(13)9(6-8)12(17)14-3/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyYJLPCGHPTCYYCX-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.29
Rot. Bonds3

About 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide

2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide (PubChem CID 47263248) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
PubChem CID47263248
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
SMILESCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7(2)11(16)15-8-4-5-10(13)9(6-8)12(17)14-3/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKeyYJLPCGHPTCYYCX-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
CID 111483491
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide
CID 167744698
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide (CID 47263248) is 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide is CNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide?
The InChIKey is YJLPCGHPTCYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7(2)11(16)15-8-4-5-10(13)9(6-8)12(17)14-3/h4-7H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide has a molecular weight of 254.72 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 47263248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).