2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide

C13H16F2N2O — CID 64823086

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c14-9-4-5-11(15)8(6-9)7-17-13(18)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2,(H,17,18)
InChIKeyBUBCPTHIVCIJOK-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide

2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 64823086) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID64823086
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c14-9-4-5-11(15)8(6-9)7-17-13(18)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2,(H,17,18)
InChIKeyBUBCPTHIVCIJOK-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
2-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61016926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide (CID 64823086) is 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BUBCPTHIVCIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-9-4-5-11(15)8(6-9)7-17-13(18)10-2-1-3-12(10)16/h4-6,10,12H,1-3,7,16H2,(H,17,18).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide?
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64823086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).