5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid

C15H19FN2O3 — CID 63831445

IUPAC5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1(CNC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1
InChIInChI=1S/C15H19FN2O3/c1-15(6-2-3-7-15)9-17-14(21)18-12-5-4-10(16)8-11(12)13(19)20/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLVQDEARQGXKOFD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.23
Rot. Bonds4

About 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid

5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid (PubChem CID 63831445) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
PubChem CID63831445
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1(CNC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1
InChIInChI=1S/C15H19FN2O3/c1-15(6-2-3-7-15)9-17-14(21)18-12-5-4-10(16)8-11(12)13(19)20/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLVQDEARQGXKOFD-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
5-fluoro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61202309
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
5-fluoro-2-(2-propan-2-yloxyethylcarbamoylamino)benzoic acid
CID 104763722
5-fluoro-2-(3-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 63957731
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid (CID 63831445) is 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid is CC1(CNC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1.
What is the InChIKey of 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The InChIKey is LVQDEARQGXKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(6-2-3-7-15)9-17-14(21)18-12-5-4-10(16)8-11(12)13(19)20/h4-5,8H,2-3,6-7,9H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid has a molecular weight of 294.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 63831445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).