N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide

C12H12ClF2NO — CID 63394666

IUPACN-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
SMILESO=C(c1cc(F)cc(F)c1)N(CCCl)C1CC1
InChIInChI=1S/C12H12ClF2NO/c13-3-4-16(11-1-2-11)12(17)8-5-9(14)7-10(15)6-8/h5-7,11H,1-4H2
InChIKeyGPDWBQNWEFWHMD-UHFFFAOYSA-N
MW259.68 g/mol
LogP2.81
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide

N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide (PubChem CID 63394666) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
PubChem CID63394666
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
SMILESO=C(c1cc(F)cc(F)c1)N(CCCl)C1CC1
InChIInChI=1S/C12H12ClF2NO/c13-3-4-16(11-1-2-11)12(17)8-5-9(14)7-10(15)6-8/h5-7,11H,1-4H2
InChIKeyGPDWBQNWEFWHMD-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 80677748
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide (CID 63394666) is N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide is O=C(c1cc(F)cc(F)c1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide?
The InChIKey is GPDWBQNWEFWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c13-3-4-16(11-1-2-11)12(17)8-5-9(14)7-10(15)6-8/h5-7,11H,1-4H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide?
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide has a molecular weight of 259.68 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide is sourced from PubChem (CID 63394666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).