2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide

C15H20ClFN2O — CID 78907261

IUPAC2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-14(17)13(16)9-12/h7-11,18H,2-6H2,1H3,(H,19,20)
InChIKeyVDCTVNDXPQEDAP-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide

2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide (PubChem CID 78907261) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
PubChem CID78907261
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-14(17)13(16)9-12/h7-11,18H,2-6H2,1H3,(H,19,20)
InChIKeyVDCTVNDXPQEDAP-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide (CID 78907261) is 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide is CC(Nc1ccc(F)c(Cl)c1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide?
The InChIKey is VDCTVNDXPQEDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(15(20)19-11-5-3-2-4-6-11)18-12-7-8-14(17)13(16)9-12/h7-11,18H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide?
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide has a molecular weight of 298.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 78907261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).