4-[(2,2-difluoroacetyl)amino]benzoic acid

C9H7F2NO3 — CID 103513089

IUPAC4-[(2,2-difluoroacetyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C9H7F2NO3/c10-7(11)8(13)12-6-3-1-5(2-4-6)9(14)15/h1-4,7H,(H,12,13)(H,14,15)
InChIKeyBSIIVLPYBMGCEK-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.59
Rot. Bonds3

About 4-[(2,2-difluoroacetyl)amino]benzoic acid

4-[(2,2-difluoroacetyl)amino]benzoic acid (PubChem CID 103513089) has the molecular formula C9H7F2NO3 and a molecular weight of 215.16 g/mol. Its IUPAC name is 4-[(2,2-difluoroacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2,2-difluoroacetyl)amino]benzoic acid
PubChem CID103513089
Molecular FormulaC9H7F2NO3
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name4-[(2,2-difluoroacetyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C9H7F2NO3/c10-7(11)8(13)12-6-3-1-5(2-4-6)9(14)15/h1-4,7H,(H,12,13)(H,14,15)
InChIKeyBSIIVLPYBMGCEK-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513243
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-(3,3-difluoropropylamino)benzoic acid
CID 84680878
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
4-[(3-chloro-2-methylpropanoyl)amino]benzoic acid
CID 62727614
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoic acid
CID 155708158
4-[[(2S)-2-methyl-3-sulfanylpropanoyl]amino]benzoic acid
CID 88611511
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
4-[2-(sulfanylmethyl)butanoylamino]benzoic acid
CID 88611493

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroacetyl)amino]benzoic acid?
The IUPAC name of 4-[(2,2-difluoroacetyl)amino]benzoic acid (CID 103513089) is 4-[(2,2-difluoroacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2,2-difluoroacetyl)amino]benzoic acid?
The canonical SMILES for 4-[(2,2-difluoroacetyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)C(F)F)cc1.
What is the InChIKey of 4-[(2,2-difluoroacetyl)amino]benzoic acid?
The InChIKey is BSIIVLPYBMGCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO3/c10-7(11)8(13)12-6-3-1-5(2-4-6)9(14)15/h1-4,7H,(H,12,13)(H,14,15).
What are the key properties of 4-[(2,2-difluoroacetyl)amino]benzoic acid?
4-[(2,2-difluoroacetyl)amino]benzoic acid has a molecular weight of 215.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroacetyl)amino]benzoic acid is sourced from PubChem (CID 103513089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).