2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide

C16H13F4N3O3 — CID 167581714

IUPAC2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1ccc(F)cc1F.NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2N2O2.C7H5F2NO/c1-12-9(15)13-8(14)6-3-2-5(10)4-7(6)11;8-4-1-2-5(7(10)11)6(9)3-4/h2-4H,1H3,(H2,12,13,14,15);1-3H,(H2,10,11)
InChIKeyHGLFUZGPOUUZLL-UHFFFAOYSA-N
MW371.29 g/mol
LogP2.10
Rot. Bonds2

About 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide

2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide (PubChem CID 167581714) has the molecular formula C16H13F4N3O3 and a molecular weight of 371.29 g/mol. Its IUPAC name is 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide.

Molecular Properties

Compound Name2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide
PubChem CID167581714
Molecular FormulaC16H13F4N3O3
Molecular Weight371.29 g/mol
Exact Mass371.09
IUPAC Name2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1ccc(F)cc1F.NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2N2O2.C7H5F2NO/c1-12-9(15)13-8(14)6-3-2-5(10)4-7(6)11;8-4-1-2-5(7(10)11)6(9)3-4/h2-4H,1H3,(H2,12,13,14,15);1-3H,(H2,10,11)
InChIKeyHGLFUZGPOUUZLL-UHFFFAOYSA-N
XLogP2.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluorobenzamide;dihydrochloride
CID 22032026
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 7951515
2,4-difluoro-N-[2-(methylamino)-2-oxoethoxy]benzamide
CID 110495725
2,4-difluorobenzenecarbothioamide
CID 2781868
N-[(2R)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
CID 1480088
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
CID 1480087
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
N-(1-carbamothioyl-4-methylcyclohexyl)-2,4-difluorobenzamide
CID 61121738
[2-(methylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 40704389
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide?
The IUPAC name of 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide (CID 167581714) is 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide.
What is the SMILES notation for 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide?
The canonical SMILES for 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide is CNC(=O)NC(=O)c1ccc(F)cc1F.NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide?
The InChIKey is HGLFUZGPOUUZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2.C7H5F2NO/c1-12-9(15)13-8(14)6-3-2-5(10)4-7(6)11;8-4-1-2-5(7(10)11)6(9)3-4/h2-4H,1H3,(H2,12,13,14,15);1-3H,(H2,10,11).
What are the key properties of 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide?
2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide has a molecular weight of 371.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobenzamide;2,4-difluoro-N-(methylcarbamoyl)benzamide is sourced from PubChem (CID 167581714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).