N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide

C14H18F2N2O — CID 115272912

IUPACN-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
SMILESNC1CCC(NC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c15-10-2-5-13(16)9(7-10)1-6-14(19)18-12-4-3-11(17)8-12/h2,5,7,11-12H,1,3-4,6,8,17H2,(H,18,19)
InChIKeyXAGPXQCDQVOKCZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.89
Rot. Bonds4

About N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide

N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide (PubChem CID 115272912) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
PubChem CID115272912
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide
SMILESNC1CCC(NC(=O)CCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O/c15-10-2-5-13(16)9(7-10)1-6-14(19)18-12-4-3-11(17)8-12/h2,5,7,11-12H,1,3-4,6,8,17H2,(H,18,19)
InChIKeyXAGPXQCDQVOKCZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
2-(2,5-difluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 111470021
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
CID 119478251
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
CID 119375776
N-[(1S,3S)-3-aminocyclopentyl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 133110738
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide (CID 115272912) is N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide is NC1CCC(NC(=O)CCc2cc(F)ccc2F)C1.
What is the InChIKey of N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide?
The InChIKey is XAGPXQCDQVOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-10-2-5-13(16)9(7-10)1-6-14(19)18-12-4-3-11(17)8-12/h2,5,7,11-12H,1,3-4,6,8,17H2,(H,18,19).
What are the key properties of N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide?
N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide has a molecular weight of 268.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclopentyl)-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 115272912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).