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

C15H21FN2O — CID 64748209

IUPAC5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
SMILESCCC1CCCC(NC(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-2-10-4-3-5-12(8-10)18-15(19)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyBBBIHYQHMIUGSU-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.11
Rot. Bonds3

About 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide

5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide (PubChem CID 64748209) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
PubChem CID64748209
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
SMILESCCC1CCCC(NC(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-2-10-4-3-5-12(8-10)18-15(19)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyBBBIHYQHMIUGSU-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-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
CID 107031015
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide (CID 64748209) is 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide is CCC1CCCC(NC(=O)c2cc(N)ccc2F)C1.
What is the InChIKey of 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide?
The InChIKey is BBBIHYQHMIUGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-10-4-3-5-12(8-10)18-15(19)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide?
5-amino-N-(3-ethylcyclohexyl)-2-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 5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 64748209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).