3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H15F2NO4 — CID 103550191

IUPAC3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-3-1-2-10(7-11)17-12(18)8-4-5-9(6-8)13(19)20/h1-3,7-9,14H,4-6H2,(H,17,18)(H,19,20)
InChIKeyJDQPYIJZZWCYRC-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.73
Rot. Bonds5

About 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550191) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550191
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-3-1-2-10(7-11)17-12(18)8-4-5-9(6-8)13(19)20/h1-3,7-9,14H,4-6H2,(H,17,18)(H,19,20)
InChIKeyJDQPYIJZZWCYRC-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
CID 71785615
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
cis-(1S,2R)-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 40535923
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103550191) is 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(OC(F)F)c2)C1.
What is the InChIKey of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JDQPYIJZZWCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-14(16)21-11-3-1-2-10(7-11)17-12(18)8-4-5-9(6-8)13(19)20/h1-3,7-9,14H,4-6H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).