1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide

C24H23F7N2O2 — CID 143193498

IUPAC1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(C)c1C(=O)NC1CCC1C
InChIInChI=1S/C24H23F7N2O2/c1-12-7-9-17(12)33-21(35)19-13(2)5-4-6-16(19)20(34)32-18-10-8-15(11-14(18)3)22(25,23(26,27)28)24(29,30)31/h4-6,8,10-12,17H,7,9H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyIOISJGDEXYDJTJ-UHFFFAOYSA-N
MW504.45 g/mol
LogP6.37
Rot. Bonds5

About 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide

1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide (PubChem CID 143193498) has the molecular formula C24H23F7N2O2 and a molecular weight of 504.45 g/mol. Its IUPAC name is 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide
PubChem CID143193498
Molecular FormulaC24H23F7N2O2
Molecular Weight504.45 g/mol
Exact Mass504.16
IUPAC Name1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(C)c1C(=O)NC1CCC1C
InChIInChI=1S/C24H23F7N2O2/c1-12-7-9-17(12)33-21(35)19-13(2)5-4-6-16(19)20(34)32-18-10-8-15(11-14(18)3)22(25,23(26,27)28)24(29,30)31/h4-6,8,10-12,17H,7,9H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyIOISJGDEXYDJTJ-UHFFFAOYSA-N
XLogP6.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.45
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(2-cyanopropan-2-yl)-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methylbenzene-1,2-dicarboxamide
CID 123889396
3-(2-cyclopropylethyl)-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]benzamide
CID 165060733
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide
CID 76846870
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methylsulfanylphenyl)benzene-1,2-dicarboxamide
CID 139940791
tert-butyl N-[3-[[2-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl]-6-iodobenzoyl]amino]propyl]carbamate
CID 12054405
3-(2,5-dichloropyrrol-1-yl)-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 10121416
N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl]phenyl]-2-iodobenzamide
CID 87631106
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(1-methylsulfinylpropan-2-yl)benzene-1,2-dicarboxamide
CID 74401022
[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl]-2-[(2-methyl-1-methylsulfinylpropan-2-yl)carbamoyl]phenyl] methanesulfonate
CID 58601437
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methoxyimino-2-phenylethyl)benzene-1,2-dicarboxamide
CID 140681298
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-(methylideneamino)-2-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
CID 143534802
tert-butyl N-[[2-[[2-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl]-6-iodobenzoyl]amino]-2-methylpropyl]-methyl-λ4-sulfanylidene]carbamate;tert-butyl N-[[2-[[2-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]carbamoyl]-6-iodobenzoyl]amino]-2-methylpropyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 158167261

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide (CID 143193498) is 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(C)c1C(=O)NC1CCC1C.
What is the InChIKey of 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide?
The InChIKey is IOISJGDEXYDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F7N2O2/c1-12-7-9-17(12)33-21(35)19-13(2)5-4-6-16(19)20(34)32-18-10-8-15(11-14(18)3)22(25,23(26,27)28)24(29,30)31/h4-6,8,10-12,17H,7,9H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide?
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide has a molecular weight of 504.45 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 143193498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).