N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide

C20H20F4N2O2 — CID 159727899

IUPACN-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)(C)NC(=O)C(F)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C20H20F4N2O2/c1-4-20(2,3)26-19(28)17(24)13-9-11(5-7-14(13)21)18(27)25-12-6-8-15(22)16(23)10-12/h5-10,17H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFNBPFIWXFWLDQN-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.67
Rot. Bonds6

About N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide

N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 159727899) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID159727899
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC NameN-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide
SMILESCCC(C)(C)NC(=O)C(F)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C20H20F4N2O2/c1-4-20(2,3)26-19(28)17(24)13-9-11(5-7-14(13)21)18(27)25-12-6-8-15(22)16(23)10-12/h5-10,17H,4H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFNBPFIWXFWLDQN-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide (CID 159727899) is N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide is CCC(C)(C)NC(=O)C(F)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is FNBPFIWXFWLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-4-20(2,3)26-19(28)17(24)13-9-11(5-7-14(13)21)18(27)25-12-6-8-15(22)16(23)10-12/h5-10,17H,4H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide?
N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 396.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-fluoro-3-[1-fluoro-2-(2-methylbutan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 159727899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).