4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide

C15H21FN2O — CID 62680797

IUPAC4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6,17H2,1H3,(H,18,19)
InChIKeyPNKGDPGAHWINDZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.11
Rot. Bonds3

About 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide

4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide (PubChem CID 62680797) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
PubChem CID62680797
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6,17H2,1H3,(H,18,19)
InChIKeyPNKGDPGAHWINDZ-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
CID 62816831
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
CID 63213551
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide (CID 62680797) is 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide is CCC1CCCCC1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide?
The InChIKey is PNKGDPGAHWINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide?
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide has a molecular weight of 264.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 62680797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).