2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid

C10H11FN2O3 — CID 86683687

IUPAC2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
SMILESCNC(=O)c1ccc(NCC(=O)O)c(F)c1
InChIInChI=1S/C10H11FN2O3/c1-12-10(16)6-2-3-8(7(11)4-6)13-5-9(14)15/h2-4,13H,5H2,1H3,(H,12,16)(H,14,15)
InChIKeyAICDLOASHGOKTN-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.68
Rot. Bonds4

About 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid

2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid (PubChem CID 86683687) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
PubChem CID86683687
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
SMILESCNC(=O)c1ccc(NCC(=O)O)c(F)c1
InChIInChI=1S/C10H11FN2O3/c1-12-10(16)6-2-3-8(7(11)4-6)13-5-9(14)15/h2-4,13H,5H2,1H3,(H,12,16)(H,14,15)
InChIKeyAICDLOASHGOKTN-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
4-[[(E)-but-2-enyl]amino]-3-fluoro-N-methylbenzamide;ethane
CID 178011522
2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
CID 115022150
CID 167532226
CID 167532226
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
CID 164571859
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
3-[2-fluoro-4-(methylcarbamoyl)phenyl]prop-2-enoic acid
CID 76913953

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid (CID 86683687) is 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid is CNC(=O)c1ccc(NCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid?
The InChIKey is AICDLOASHGOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-12-10(16)6-2-3-8(7(11)4-6)13-5-9(14)15/h2-4,13H,5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid?
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid has a molecular weight of 226.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 86683687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).