2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid

C15H13FN2O3 — CID 57101227

IUPAC2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid
SMILESNC(=O)N(c1ccc(CC(=O)O)cc1)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(15(17)21)11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H2,17,21)(H,19,20)
InChIKeyBODFDTYHBYPWBP-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.67
Rot. Bonds4

About 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid

2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid (PubChem CID 57101227) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid
PubChem CID57101227
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid
SMILESNC(=O)N(c1ccc(CC(=O)O)cc1)c1ccccc1F
InChIInChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(15(17)21)11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H2,17,21)(H,19,20)
InChIKeyBODFDTYHBYPWBP-UHFFFAOYSA-N
XLogP2.67
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid?
The IUPAC name of 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid (CID 57101227) is 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid is NC(=O)N(c1ccc(CC(=O)O)cc1)c1ccccc1F.
What is the InChIKey of 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid?
The InChIKey is BODFDTYHBYPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-3-1-2-4-13(12)18(15(17)21)11-7-5-10(6-8-11)9-14(19)20/h1-8H,9H2,(H2,17,21)(H,19,20).
What are the key properties of 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid?
2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid has a molecular weight of 288.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-carbamoyl-2-fluoroanilino)phenyl]acetic acid is sourced from PubChem (CID 57101227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).