2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid

C14H17FN2O3 — CID 63860051

IUPAC2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
SMILESCC1CC1CN(C)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-8-6-9(8)7-17(2)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMCKSKNILZQSENL-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.64
Rot. Bonds4

About 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid

2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid (PubChem CID 63860051) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
PubChem CID63860051
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
SMILESCC1CC1CN(C)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-8-6-9(8)7-17(2)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMCKSKNILZQSENL-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid (CID 63860051) is 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid is CC1CC1CN(C)C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid?
The InChIKey is MCKSKNILZQSENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-6-9(8)7-17(2)14(20)16-11-5-3-4-10(15)12(11)13(18)19/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid?
2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63860051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).