N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide

C16H22F2N2O — CID 79116508

IUPACN-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2N2O/c1-3-19-12-5-7-13(8-6-12)20(2)16(21)11-4-9-14(17)15(18)10-11/h4,9-10,12-13,19H,3,5-8H2,1-2H3
InChIKeyFYAOGXAJTXNNGG-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.96
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide

N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 79116508) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
PubChem CID79116508
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2N2O/c1-3-19-12-5-7-13(8-6-12)20(2)16(21)11-4-9-14(17)15(18)10-11/h4,9-10,12-13,19H,3,5-8H2,1-2H3
InChIKeyFYAOGXAJTXNNGG-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
CID 79119344
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641
ethyl 4-[(3,4-difluorobenzoyl)-methylamino]piperidine-1-carboxylate
CID 110868280
N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
CID 107687379
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide (CID 79116508) is N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide is CCNC1CCC(N(C)C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is FYAOGXAJTXNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-19-12-5-7-13(8-6-12)20(2)16(21)11-4-9-14(17)15(18)10-11/h4,9-10,12-13,19H,3,5-8H2,1-2H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide?
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 79116508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).