3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide

C12H14F2N2O — CID 66009400

IUPAC3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-2-1-3-10(11(9)14)16-12(17)7-4-5-8(15)6-7/h1-3,7-8H,4-6,15H2,(H,16,17)
InChIKeyGUIPLHHCBUGESU-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.03
Rot. Bonds2

About 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide

3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide (PubChem CID 66009400) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
PubChem CID66009400
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-2-1-3-10(11(9)14)16-12(17)7-4-5-8(15)6-7/h1-3,7-8H,4-6,15H2,(H,16,17)
InChIKeyGUIPLHHCBUGESU-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63041812
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CID 119675324
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3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide (CID 66009400) is 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(F)c2F)C1.
What is the InChIKey of 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is GUIPLHHCBUGESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-2-1-3-10(11(9)14)16-12(17)7-4-5-8(15)6-7/h1-3,7-8H,4-6,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide?
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).