2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 83209576

IUPAC2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-11-6-5-9(16)8-10(11)13(17)19/h5-6,8,12,18H,2-4,7H2,1H3,(H2,17,19)(H,20,21)
InChIKeyFVLKRQJPTZKYIN-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.37
Rot. Bonds4

About 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid

2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83209576) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid
PubChem CID83209576
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-11-6-5-9(16)8-10(11)13(17)19/h5-6,8,12,18H,2-4,7H2,1H3,(H2,17,19)(H,20,21)
InChIKeyFVLKRQJPTZKYIN-UHFFFAOYSA-N
XLogP2.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid (CID 83209576) is 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1Nc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is FVLKRQJPTZKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(14(20)21)7-3-2-4-12(15)18-11-6-5-9(16)8-10(11)13(17)19/h5-6,8,12,18H,2-4,7H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid?
2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83209576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).