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

C15H21FN2O — CID 62680038

IUPAC4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCC2CCCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19)
InChIKeyMVNQNSJNMVIFSB-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.11
Rot. Bonds4

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

4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide (PubChem CID 62680038) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
PubChem CID62680038
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCCC2CCCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19)
InChIKeyMVNQNSJNMVIFSB-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
CID 61102915
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide (CID 62680038) is 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide is Nc1ccc(C(=O)NCCC2CCCCC2)cc1F.
What is the InChIKey of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide?
The InChIKey is MVNQNSJNMVIFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19).
What are the key properties of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide?
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide has a molecular weight of 264.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide is sourced from PubChem (CID 62680038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).