2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

C16H14F2N2O3 — CID 23511904

IUPAC2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCc1ccccc1NC(=O)Nc1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C16H14F2N2O3/c1-9-4-2-3-5-13(9)19-16(23)20-14-8-11(17)10(6-12(14)18)7-15(21)22/h2-6,8H,7H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyPULZXDFBHWNLHC-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.54
Rot. Bonds4

About 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 23511904) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
PubChem CID23511904
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCc1ccccc1NC(=O)Nc1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C16H14F2N2O3/c1-9-4-2-3-5-13(9)19-16(23)20-14-8-11(17)10(6-12(14)18)7-15(21)22/h2-6,8H,7H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyPULZXDFBHWNLHC-UHFFFAOYSA-N
XLogP3.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (CID 23511904) is 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is Cc1ccccc1NC(=O)Nc1cc(F)c(CC(=O)O)cc1F.
What is the InChIKey of 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is PULZXDFBHWNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-9-4-2-3-5-13(9)19-16(23)20-14-8-11(17)10(6-12(14)18)7-15(21)22/h2-6,8H,7H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 320.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 23511904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).