4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C15H16F2N2O4 — CID 169257425

IUPAC4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C15H16F2N2O4/c1-18-14(22)13(4-3-5-20)19(2)15(23)10-7-12(17)11(16)6-9(10)8-21/h5-8,13H,3-4H2,1-2H3,(H,18,22)
InChIKeyGCZHPZNSVBLUJH-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.94
Rot. Bonds7

About 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 169257425) has the molecular formula C15H16F2N2O4 and a molecular weight of 326.30 g/mol. Its IUPAC name is 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID169257425
Molecular FormulaC15H16F2N2O4
Molecular Weight326.30 g/mol
Exact Mass326.11
IUPAC Name4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C15H16F2N2O4/c1-18-14(22)13(4-3-5-20)19(2)15(23)10-7-12(17)11(16)6-9(10)8-21/h5-8,13H,3-4H2,1-2H3,(H,18,22)
InChIKeyGCZHPZNSVBLUJH-UHFFFAOYSA-N
XLogP0.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(3-methyl-1,4-dioxo-2-propan-2-yl-5H-2,3-benzodiazepin-5-yl)propanamide
CID 44344979
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methyl-N-(3-methyl-1,4-dioxo-2-propan-2-yl-5H-2,3-benzodiazepin-5-yl)butanamide
CID 44345100
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 162515878
4-fluoro-N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 162515899
o-Toluamide, N-(carbamoylmethyl)-
CID 201757
N-3,4-difluorobenzoyl-L-leucine-glycine nitrile (26)
CID 73896175
N-2,4-difluorobenzoyl-L-leucine-glycine nitrile (23)
CID 127054395
N-2,5-difluorobenzoyl-L-leucine-glycine nitrile (24)
CID 127054396
N-3,5-difluorobenzoyl-L-leucine-glycine nitrile (27)
CID 127054398
N-2,4,5-trifluorobenzoyl-L-leucine-glycine nitrile
CID 127054400

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 169257425) is 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1cc(F)c(F)cc1C=O.
What is the InChIKey of 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is GCZHPZNSVBLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4/c1-18-14(22)13(4-3-5-20)19(2)15(23)10-7-12(17)11(16)6-9(10)8-21/h5-8,13H,3-4H2,1-2H3,(H,18,22).
What are the key properties of 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 326.30 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 169257425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).