3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H15F2NO3 — CID 103550760

IUPAC3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H15F2NO3/c15-11-3-4-12(16)10(6-11)7-17-13(18)8-1-2-9(5-8)14(19)20/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)(H,19,20)
InChIKeyFZFCMAGONXBWKD-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.08
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550760) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550760
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H15F2NO3/c15-11-3-4-12(16)10(6-11)7-17-13(18)8-1-2-9(5-8)14(19)20/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)(H,19,20)
InChIKeyFZFCMAGONXBWKD-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

3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
2-[(2,5-difluorophenyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391019
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
3-[(2,5-difluorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119121716
cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146137048
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
N-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78942020
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550760) is 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FZFCMAGONXBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-11-3-4-12(16)10(6-11)7-17-13(18)8-1-2-9(5-8)14(19)20/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(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 3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).