3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H15FN2O4 — CID 103550192

IUPAC3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H15FN2O4/c15-10-4-3-7(12(16)18)6-11(10)17-13(19)8-1-2-9(5-8)14(20)21/h3-4,6,8-9H,1-2,5H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyZZUAWBXCQZWJFE-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.36
Rot. Bonds4

About 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550192) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550192
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H15FN2O4/c15-10-4-3-7(12(16)18)6-11(10)17-13(19)8-1-2-9(5-8)14(20)21/h3-4,6,8-9H,1-2,5H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyZZUAWBXCQZWJFE-UHFFFAOYSA-N
XLogP1.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 60849041
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687973
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 56951740
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550192) is 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is NC(=O)c1ccc(F)c(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZZUAWBXCQZWJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-4-3-7(12(16)18)6-11(10)17-13(19)8-1-2-9(5-8)14(20)21/h3-4,6,8-9H,1-2,5H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 294.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).