5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide

C14H16ClF2NO — CID 17067296

IUPAC5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
SMILESCc1c(Cl)cc(C(=O)NC2CCCCC2)c(F)c1F
InChIInChI=1S/C14H16ClF2NO/c1-8-11(15)7-10(13(17)12(8)16)14(19)18-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeySBHASBWHUNPVPZ-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.99
Rot. Bonds2

About 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide

5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide (PubChem CID 17067296) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
PubChem CID17067296
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide
SMILESCc1c(Cl)cc(C(=O)NC2CCCCC2)c(F)c1F
InChIInChI=1S/C14H16ClF2NO/c1-8-11(15)7-10(13(17)12(8)16)14(19)18-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeySBHASBWHUNPVPZ-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
2-chloro-N-cyclopentylbenzamide
CID 669043
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide (CID 17067296) is 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide is Cc1c(Cl)cc(C(=O)NC2CCCCC2)c(F)c1F.
What is the InChIKey of 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide?
The InChIKey is SBHASBWHUNPVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c1-8-11(15)7-10(13(17)12(8)16)14(19)18-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide?
5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide has a molecular weight of 287.74 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2,3-difluoro-4-methylbenzamide is sourced from PubChem (CID 17067296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).