2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide

C16H23FN2O — CID 47145467

IUPAC2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-11-3-7-15(8-4-11)19-16(20)12(2)18-14-9-5-13(17)6-10-14/h5-6,9-12,15,18H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyCKUFCIZIQNFEEU-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide

2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide (PubChem CID 47145467) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
PubChem CID47145467
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-11-3-7-15(8-4-11)19-16(20)12(2)18-14-9-5-13(17)6-10-14/h5-6,9-12,15,18H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyCKUFCIZIQNFEEU-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide
CID 55988900
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
(2R)-N-(4-fluorophenyl)-2-(4-methylcyclohexyl)propanamide
CID 138502747
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide (CID 47145467) is 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)C(C)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is CKUFCIZIQNFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-3-7-15(8-4-11)19-16(20)12(2)18-14-9-5-13(17)6-10-14/h5-6,9-12,15,18H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide?
2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 278.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 47145467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).