N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide

C19H15F7N2O — CID 76846870

IUPACN-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc2c1NCC2
InChIInChI=1S/C19H15F7N2O/c1-10-9-12(17(20,18(21,22)23)19(24,25)26)5-6-14(10)28-16(29)13-4-2-3-11-7-8-27-15(11)13/h2-6,9,27H,7-8H2,1H3,(H,28,29)
InChIKeyKFNFFPNXOGNWRT-UHFFFAOYSA-N
MW420.33 g/mol
LogP5.50
Rot. Bonds3

About N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide

N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide (PubChem CID 76846870) has the molecular formula C19H15F7N2O and a molecular weight of 420.33 g/mol. Its IUPAC name is N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide
PubChem CID76846870
Molecular FormulaC19H15F7N2O
Molecular Weight420.33 g/mol
Exact Mass420.11
IUPAC NameN-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc2c1NCC2
InChIInChI=1S/C19H15F7N2O/c1-10-9-12(17(20,18(21,22)23)19(24,25)26)5-6-14(10)28-16(29)13-4-2-3-11-7-8-27-15(11)13/h2-6,9,27H,7-8H2,1H3,(H,28,29)
InChIKeyKFNFFPNXOGNWRT-UHFFFAOYSA-N
XLogP5.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.33
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclopropylethyl)-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]benzamide
CID 165060733
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-methyl-2-N-(2-methylcyclobutyl)benzene-1,2-dicarboxamide
CID 143193498
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
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
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-[2-(2,6-dimethylphenoxy)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351351
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
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-[hydroxy-[(2-methyl-1-methylsulfanylpropan-2-yl)amino]methyl]-3-iodobenzamide
CID 163591034
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzamide
CID 18071557
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
S-methyl 2,3-dihydro-1H-indole-7-carbothioate
CID 14547561

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide?
The IUPAC name of N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide (CID 76846870) is N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide?
The canonical SMILES for N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc2c1NCC2.
What is the InChIKey of N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide?
The InChIKey is KFNFFPNXOGNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N2O/c1-10-9-12(17(20,18(21,22)23)19(24,25)26)5-6-14(10)28-16(29)13-4-2-3-11-7-8-27-15(11)13/h2-6,9,27H,7-8H2,1H3,(H,28,29).
What are the key properties of N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide?
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide has a molecular weight of 420.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2,3-dihydro-1H-indole-7-carboxamide is sourced from PubChem (CID 76846870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).