3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide

C19H17F3N2O2 — CID 76900732

IUPAC3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
SMILESCC1(NC(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(F)c3)c2)CCC1
InChIInChI=1S/C19H17F3N2O2/c1-19(7-2-8-19)24-17(25)11-3-5-14(20)13(9-11)18(26)23-12-4-6-15(21)16(22)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKEIGTLXCBYAZSA-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.03
Rot. Bonds4

About 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide

3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide (PubChem CID 76900732) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
PubChem CID76900732
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
SMILESCC1(NC(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(F)c3)c2)CCC1
InChIInChI=1S/C19H17F3N2O2/c1-19(7-2-8-19)24-17(25)11-3-5-14(20)13(9-11)18(26)23-12-4-6-15(21)16(22)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKEIGTLXCBYAZSA-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide
CID 145095071
N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(4-fluoro-3-isocyanophenyl)-1-methyl-5-[2-[(1-methylcyclobutyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 158387178
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
methyl 1-[(3,4-difluorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184233
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64686483
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide (CID 76900732) is 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide is CC1(NC(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(F)c3)c2)CCC1.
What is the InChIKey of 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide?
The InChIKey is KEIGTLXCBYAZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-19(7-2-8-19)24-17(25)11-3-5-14(20)13(9-11)18(26)23-12-4-6-15(21)16(22)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide?
3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide has a molecular weight of 362.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 76900732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).