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

C11H13ClFNO — CID 103875490

IUPAC4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyHQTAWEQJFMTKHA-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide

4-chloro-3-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 103875490) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
PubChem CID103875490
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFNO/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyHQTAWEQJFMTKHA-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide (CID 103875490) is 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is HQTAWEQJFMTKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide?
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 229.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 103875490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).