2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide

C13H17FN2O — CID 82765588

IUPAC2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(F)c2)CCCC1N
InChIInChI=1S/C13H17FN2O/c1-13(7-3-6-11(13)15)12(17)16-10-5-2-4-9(14)8-10/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17)
InChIKeySXBFDXGDEKCXDS-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82765588) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82765588
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(F)c2)CCCC1N
InChIInChI=1S/C13H17FN2O/c1-13(7-3-6-11(13)15)12(17)16-10-5-2-4-9(14)8-10/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17)
InChIKeySXBFDXGDEKCXDS-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
2-amino-1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 82766050
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
CID 82767830
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 166198053
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 82767561
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide (CID 82765588) is 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2cccc(F)c2)CCCC1N.
What is the InChIKey of 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is SXBFDXGDEKCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(7-3-6-11(13)15)12(17)16-10-5-2-4-9(14)8-10/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).