2-[4-(difluoromethoxy)anilino]benzoic acid

C14H11F2NO3 — CID 2398458

IUPAC2-[4-(difluoromethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
InChIKeyVATLFRMTHALRQT-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-(difluoromethoxy)anilino]benzoic acid

2-[4-(difluoromethoxy)anilino]benzoic acid (PubChem CID 2398458) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]benzoic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]benzoic acid
PubChem CID2398458
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-[4-(difluoromethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
InChIKeyVATLFRMTHALRQT-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
2-(4-ethoxyanilino)benzoic acid
CID 15247418
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
2-(4-hydroxyanilino)benzoic acid
CID 11593806
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
CID 60557932
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
CID 56535734
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]benzoic acid?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]benzoic acid (CID 2398458) is 2-[4-(difluoromethoxy)anilino]benzoic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]benzoic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]benzoic acid is O=C(O)c1ccccc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]benzoic acid?
The InChIKey is VATLFRMTHALRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19).
What are the key properties of 2-[4-(difluoromethoxy)anilino]benzoic acid?
2-[4-(difluoromethoxy)anilino]benzoic acid has a molecular weight of 279.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]benzoic acid is sourced from PubChem (CID 2398458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).