5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide

C10H9F2N3O3 — CID 113218225

IUPAC5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C(F)F)cc(C(N)=O)c1
InChIInChI=1S/C10H9F2N3O3/c11-7(12)10(18)15-6-2-4(8(13)16)1-5(3-6)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyACKSPMIVONSPRH-UHFFFAOYSA-N
MW257.20 g/mol
LogP0.09
Rot. Bonds4

About 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide

5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide (PubChem CID 113218225) has the molecular formula C10H9F2N3O3 and a molecular weight of 257.20 g/mol. Its IUPAC name is 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
PubChem CID113218225
Molecular FormulaC10H9F2N3O3
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C(F)F)cc(C(N)=O)c1
InChIInChI=1S/C10H9F2N3O3/c11-7(12)10(18)15-6-2-4(8(13)16)1-5(3-6)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyACKSPMIVONSPRH-UHFFFAOYSA-N
XLogP0.09
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
CID 55096712
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
2,2-difluoro-N-(3-hydroxyphenyl)acetamide
CID 103600554
5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
CID 103028794
4-[(2,2-difluoroacetyl)amino]benzoic acid
CID 103513089
3,5-bis(2-hexyldecanoylamino)benzamide
CID 19030364
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837
N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
CID 165403947
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
CID 9466178
3-(2-aminopropanoylamino)benzamide
CID 61258270
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-2-methyl-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
CID 71122038
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide (CID 113218225) is 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)C(F)F)cc(C(N)=O)c1.
What is the InChIKey of 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide?
The InChIKey is ACKSPMIVONSPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3/c11-7(12)10(18)15-6-2-4(8(13)16)1-5(3-6)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18).
What are the key properties of 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide?
5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide has a molecular weight of 257.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoroacetyl)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 113218225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).