4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide

C14H18F2N2O — CID 55158665

IUPAC4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H18F2N2O/c1-18(10-5-3-2-4-6-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3
InChIKeyAESNROXFIHUBGS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.95
Rot. Bonds2

About 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide

4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide (PubChem CID 55158665) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
PubChem CID55158665
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H18F2N2O/c1-18(10-5-3-2-4-6-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3
InChIKeyAESNROXFIHUBGS-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide?
The IUPAC name of 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide (CID 55158665) is 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide is CN(C(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide?
The InChIKey is AESNROXFIHUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(10-5-3-2-4-6-10)14(19)9-7-11(15)13(17)12(16)8-9/h7-8,10H,2-6,17H2,1H3.
What are the key properties of 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide?
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 55158665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).