1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide

C29H22F2N2O2 — CID 24805100

IUPAC1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C29H22F2N2O2/c30-22-13-20(14-23(31)15-22)17-32-29(35)27-25-16-24(34)11-12-26(25)33(18-19-7-3-1-4-8-19)28(27)21-9-5-2-6-10-21/h1-16,34H,17-18H2,(H,32,35)
InChIKeyLQNBNILQVNJQHD-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.27
Rot. Bonds6

About 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide

1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide (PubChem CID 24805100) has the molecular formula C29H22F2N2O2 and a molecular weight of 468.50 g/mol. Its IUPAC name is 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide
PubChem CID24805100
Molecular FormulaC29H22F2N2O2
Molecular Weight468.50 g/mol
Exact Mass468.16
IUPAC Name1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C29H22F2N2O2/c30-22-13-20(14-23(31)15-22)17-32-29(35)27-25-16-24(34)11-12-26(25)33(18-19-7-3-1-4-8-19)28(27)21-9-5-2-6-10-21/h1-16,34H,17-18H2,(H,32,35)
InChIKeyLQNBNILQVNJQHD-UHFFFAOYSA-N
XLogP6.27
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide
CID 24804284
1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
CID 3843286
[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 138971434
1-[1-benzyl-2-(4-fluorophenyl)indol-3-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one
CID 164889710
2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
CID 155579659
N-[(1-benzylpyrazol-4-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861715
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide
CID 129094964
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
CID 169027603
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide (CID 24805100) is 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide?
The InChIKey is LQNBNILQVNJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N2O2/c30-22-13-20(14-23(31)15-22)17-32-29(35)27-25-16-24(34)11-12-26(25)33(18-19-7-3-1-4-8-19)28(27)21-9-5-2-6-10-21/h1-16,34H,17-18H2,(H,32,35).
What are the key properties of 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide?
1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide has a molecular weight of 468.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-2-phenylindole-3-carboxamide is sourced from PubChem (CID 24805100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).