N-(2-chloropropyl)-3-fluoro-2-methylbenzamide

C11H13ClFNO — CID 131197905

IUPACN-(2-chloropropyl)-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NCC(C)Cl
InChIInChI=1S/C11H13ClFNO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLFSOFFKTZTXWPC-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.49
Rot. Bonds3

About N-(2-chloropropyl)-3-fluoro-2-methylbenzamide

N-(2-chloropropyl)-3-fluoro-2-methylbenzamide (PubChem CID 131197905) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-fluoro-2-methylbenzamide
PubChem CID131197905
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-(2-chloropropyl)-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)NCC(C)Cl
InChIInChI=1S/C11H13ClFNO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyLFSOFFKTZTXWPC-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
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CID 83030652
2,2-dichloro-1-(3-fluoro-2-methylphenyl)ethanone
CID 130758399
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113268438
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
methyl 2-bromo-3-[(2-chloro-3-fluorobenzoyl)amino]propanoate
CID 103492546
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-chloropropyl)-3-fluoro-2-methylbenzamide (CID 131197905) is N-(2-chloropropyl)-3-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-chloropropyl)-3-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-chloropropyl)-3-fluoro-2-methylbenzamide is Cc1c(F)cccc1C(=O)NCC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-3-fluoro-2-methylbenzamide?
The InChIKey is LFSOFFKTZTXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloropropyl)-3-fluoro-2-methylbenzamide?
N-(2-chloropropyl)-3-fluoro-2-methylbenzamide has a molecular weight of 229.68 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-fluoro-2-methylbenzamide is sourced from PubChem (CID 131197905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).