N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

C27H22ClFN2O3 — CID 146592741

IUPACN-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3cccc4occc34)ccc21
InChIInChI=1S/C27H22ClFN2O3/c1-27(2)20-10-9-16(25(32)30-14-17-5-3-8-24-18(17)11-12-34-24)13-23(20)31(26(27)33)15-19-21(28)6-4-7-22(19)29/h3-13H,14-15H2,1-2H3,(H,30,32)
InChIKeyWVWLRXDMYWJHPS-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.98
Rot. Bonds5

About N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 146592741) has the molecular formula C27H22ClFN2O3 and a molecular weight of 476.94 g/mol. Its IUPAC name is N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
PubChem CID146592741
Molecular FormulaC27H22ClFN2O3
Molecular Weight476.94 g/mol
Exact Mass476.13
IUPAC NameN-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3cccc4occc34)ccc21
InChIInChI=1S/C27H22ClFN2O3/c1-27(2)20-10-9-16(25(32)30-14-17-5-3-8-24-18(17)11-12-34-24)13-23(20)31(26(27)33)15-19-21(28)6-4-7-22(19)29/h3-13H,14-15H2,1-2H3,(H,30,32)
InChIKeyWVWLRXDMYWJHPS-UHFFFAOYSA-N
XLogP5.98
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502538
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592698
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 146592690
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]indole-6-carboxamide
CID 170073824
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
N-[[4-[3-[4-[tert-butyl(dimethyl)silyl]oxybutylamino]-3-oxoprop-1-ynyl]-2,6-difluorophenyl]methyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 174087402
4-[3-[4-[[[1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carbonyl]amino]methyl]-3,5-difluorophenyl]prop-2-ynoylamino]butyl methanesulfonate
CID 170007697
methyl 2-[[3,3-dimethyl-2-oxo-6-[(2,4,6-trifluorophenyl)methylcarbamoyl]indol-1-yl]methyl]-3-fluorobenzoate
CID 170074156
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-iodo-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 137367694
1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 137367709
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(6-fluoro-1-benzofuran-2-yl)methyl]-3-methyl-2-oxo-4H-quinazoline-7-carboxamide
CID 146546827

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The IUPAC name of N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 146592741) is N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The canonical SMILES for N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3cccc4occc34)ccc21.
What is the InChIKey of N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The InChIKey is WVWLRXDMYWJHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN2O3/c1-27(2)20-10-9-16(25(32)30-14-17-5-3-8-24-18(17)11-12-34-24)13-23(20)31(26(27)33)15-19-21(28)6-4-7-22(19)29/h3-13H,14-15H2,1-2H3,(H,30,32).
What are the key properties of N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 146592741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).