N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide

C14H18F2N2O — CID 81314780

IUPACN-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
SMILESNc1cc(F)cc(F)c1NC(=O)CCC1CCCC1
InChIInChI=1S/C14H18F2N2O/c15-10-7-11(16)14(12(17)8-10)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyLAIORYUBQNTWCQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds4

About N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide

N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide (PubChem CID 81314780) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
PubChem CID81314780
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
SMILESNc1cc(F)cc(F)c1NC(=O)CCC1CCCC1
InChIInChI=1S/C14H18F2N2O/c15-10-7-11(16)14(12(17)8-10)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyLAIORYUBQNTWCQ-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
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-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
CID 43549850
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205716
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
CID 112601922
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide (CID 81314780) is N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide is Nc1cc(F)cc(F)c1NC(=O)CCC1CCCC1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide?
The InChIKey is LAIORYUBQNTWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-10-7-11(16)14(12(17)8-10)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide?
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide has a molecular weight of 268.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 81314780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).