2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H15F2NO3 — CID 103978789

IUPAC2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO3/c15-9-4-5-12(16)8(6-9)7-17-13(18)10-2-1-3-11(10)14(19)20/h4-6,10-11H,1-3,7H2,(H,17,18)(H,19,20)
InChIKeyFJNXKEXZWSLKKX-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978789) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978789
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO3/c15-9-4-5-12(16)8(6-9)7-17-13(18)10-2-1-3-11(10)14(19)20/h4-6,10-11H,1-3,7H2,(H,17,18)(H,19,20)
InChIKeyFJNXKEXZWSLKKX-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61016926
2-amino-N-[(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823086
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 62537256
3-[(2,5-difluorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119121716

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978789) is 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FJNXKEXZWSLKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-9-4-5-12(16)8(6-9)7-17-13(18)10-2-1-3-11(10)14(19)20/h4-6,10-11H,1-3,7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).