N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide

C15H18ClF2NO — CID 63391286

IUPACN-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
SMILESO=C(c1cc(F)ccc1F)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18ClF2NO/c16-8-9-19(12-4-2-1-3-5-12)15(20)13-10-11(17)6-7-14(13)18/h6-7,10,12H,1-5,8-9H2
InChIKeyLNZAANPRIXQIHI-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.98
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide

N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide (PubChem CID 63391286) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
PubChem CID63391286
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
SMILESO=C(c1cc(F)ccc1F)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18ClF2NO/c16-8-9-19(12-4-2-1-3-5-12)15(20)13-10-11(17)6-7-14(13)18/h6-7,10,12H,1-5,8-9H2
InChIKeyLNZAANPRIXQIHI-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 53.98
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-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-2,5-difluorobenzamide
CID 102872799
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide (CID 63391286) is N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide is O=C(c1cc(F)ccc1F)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide?
The InChIKey is LNZAANPRIXQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c16-8-9-19(12-4-2-1-3-5-12)15(20)13-10-11(17)6-7-14(13)18/h6-7,10,12H,1-5,8-9H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide?
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide has a molecular weight of 301.76 g/mol, XLogP of 3.98, 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-cyclohexyl-2,5-difluorobenzamide is sourced from PubChem (CID 63391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).