N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide

C16H21F2NO2 — CID 78805547

IUPACN-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(OC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H21F2NO2/c1-2-19(13-6-4-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3
InChIKeyWXRTTWYCZFCDTN-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.08
Rot. Bonds5

About N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide

N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide (PubChem CID 78805547) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
PubChem CID78805547
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC NameN-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(OC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H21F2NO2/c1-2-19(13-6-4-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3
InChIKeyWXRTTWYCZFCDTN-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
N-cyclohexyl-N-ethyl-4-hydrazinylbenzamide
CID 62248667
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-cyclopentyl-N-ethyl-4-(methylamino)benzamide
CID 62169892
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 63394289
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide?
The IUPAC name of N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide (CID 78805547) is N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide?
The canonical SMILES for N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide is CCN(C(=O)c1ccc(OC(F)F)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide?
The InChIKey is WXRTTWYCZFCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-2-19(13-6-4-3-5-7-13)15(20)12-8-10-14(11-9-12)21-16(17)18/h8-11,13,16H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide?
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide has a molecular weight of 297.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide is sourced from PubChem (CID 78805547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).