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

C15H21FN2O — CID 63110662

IUPAC2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C15H21FN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3,(H,18,19)
InChIKeyYFXAQHPFCAJMOS-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.11
Rot. Bonds3

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

2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide (PubChem CID 63110662) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
PubChem CID63110662
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C15H21FN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3,(H,18,19)
InChIKeyYFXAQHPFCAJMOS-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

N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110102
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide (CID 63110662) is 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide is CCC1CCC(NC(=O)c2ccc(F)cc2N)CC1.
What is the InChIKey of 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide?
The InChIKey is YFXAQHPFCAJMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h5,8-10,12H,2-4,6-7,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide?
2-amino-N-(4-ethylcyclohexyl)-4-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 2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide is sourced from PubChem (CID 63110662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).