3-chloro-N-(2-methylpropyl)benzamide

C11H14ClNO — CID 587374

IUPAC3-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyJAKFOVZBAWHMCQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.73
Rot. Bonds3

About 3-chloro-N-(2-methylpropyl)benzamide

3-chloro-N-(2-methylpropyl)benzamide (PubChem CID 587374) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)benzamide
PubChem CID587374
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyJAKFOVZBAWHMCQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)benzamide (CID 587374) is 3-chloro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)benzamide?
The InChIKey is JAKFOVZBAWHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methylpropyl)benzamide?
3-chloro-N-(2-methylpropyl)benzamide has a molecular weight of 211.69 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 587374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).