N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide

C15H19F2NO3 — CID 119104693

IUPACN-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(F)(F)CC2)c(OC)c1
InChIInChI=1S/C15H19F2NO3/c1-20-11-3-4-12(13(9-11)21-2)14(19)18-10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
InChIKeyCJESPPSWALTCLN-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.01
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide

N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide (PubChem CID 119104693) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
PubChem CID119104693
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC NameN-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(F)(F)CC2)c(OC)c1
InChIInChI=1S/C15H19F2NO3/c1-20-11-3-4-12(13(9-11)21-2)14(19)18-10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
InChIKeyCJESPPSWALTCLN-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
CID 43596570
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide (CID 119104693) is N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCC(F)(F)CC2)c(OC)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide?
The InChIKey is CJESPPSWALTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-20-11-3-4-12(13(9-11)21-2)14(19)18-10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,18,19).
What are the key properties of N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide?
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide has a molecular weight of 299.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 119104693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).