3-carbamoyl-2,4-difluorobenzoic acid

C8H5F2NO3 — CID 151336938

IUPAC3-carbamoyl-2,4-difluorobenzoic acid
SMILESNC(=O)c1c(F)ccc(C(=O)O)c1F
InChIInChI=1S/C8H5F2NO3/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyOJQBIERIMZSFAY-UHFFFAOYSA-N
MW201.13 g/mol
LogP0.76
Rot. Bonds2

About 3-carbamoyl-2,4-difluorobenzoic acid

3-carbamoyl-2,4-difluorobenzoic acid (PubChem CID 151336938) has the molecular formula C8H5F2NO3 and a molecular weight of 201.13 g/mol. Its IUPAC name is 3-carbamoyl-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name3-carbamoyl-2,4-difluorobenzoic acid
PubChem CID151336938
Molecular FormulaC8H5F2NO3
Molecular Weight201.13 g/mol
Exact Mass201.02
IUPAC Name3-carbamoyl-2,4-difluorobenzoic acid
SMILESNC(=O)c1c(F)ccc(C(=O)O)c1F
InChIInChI=1S/C8H5F2NO3/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyOJQBIERIMZSFAY-UHFFFAOYSA-N
XLogP0.76
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-carbamoyl-2-fluorobenzoic acid
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4-carbamoyl-3-fluoro-2-methylbenzoic acid
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2,6-difluoro-3-(methanesulfonamido)benzamide
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2,6-difluoro-3-nitrobenzamide
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2-carbamothioyl-3,4-difluorobenzamide
CID 174710522
CID 161042703
CID 161042703
2-fluoro-4-methylbenzene-1,3-dicarboxylic acid;formamide
CID 174895281
2,6-difluoro-3-(2,2,2-trifluoroethyl)benzamide
CID 173135355
4-amino-2,3-dicarbamoylbenzoic acid
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2-bromo-3,4-difluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2,4-difluorobenzoic acid?
The IUPAC name of 3-carbamoyl-2,4-difluorobenzoic acid (CID 151336938) is 3-carbamoyl-2,4-difluorobenzoic acid.
What is the SMILES notation for 3-carbamoyl-2,4-difluorobenzoic acid?
The canonical SMILES for 3-carbamoyl-2,4-difluorobenzoic acid is NC(=O)c1c(F)ccc(C(=O)O)c1F.
What is the InChIKey of 3-carbamoyl-2,4-difluorobenzoic acid?
The InChIKey is OJQBIERIMZSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO3/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of 3-carbamoyl-2,4-difluorobenzoic acid?
3-carbamoyl-2,4-difluorobenzoic acid has a molecular weight of 201.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2,4-difluorobenzoic acid is sourced from PubChem (CID 151336938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).