N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide

C15H20F2N2O — CID 43549850

IUPACN-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
SMILESNc1cc(NC(=O)CCC2CCCCC2)c(F)cc1F
InChIInChI=1S/C15H20F2N2O/c16-11-8-12(17)14(9-13(11)18)19-15(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7,18H2,(H,19,20)
InChIKeyAUAUJAOOXYDZLU-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.85
Rot. Bonds4

About N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide

N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide (PubChem CID 43549850) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
PubChem CID43549850
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
SMILESNc1cc(NC(=O)CCC2CCCCC2)c(F)cc1F
InChIInChI=1S/C15H20F2N2O/c16-11-8-12(17)14(9-13(11)18)19-15(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7,18H2,(H,19,20)
InChIKeyAUAUJAOOXYDZLU-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.85
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

3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
CID 81314780
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
CID 61102915

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide (CID 43549850) is N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide is Nc1cc(NC(=O)CCC2CCCCC2)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide?
The InChIKey is AUAUJAOOXYDZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-11-8-12(17)14(9-13(11)18)19-15(20)7-6-10-4-2-1-3-5-10/h8-10H,1-7,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide?
N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide has a molecular weight of 282.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 43549850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).