1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide

C28H24F2N2O — CID 123844662

IUPAC1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1F)c1cccc2ccccc12
InChIInChI=1S/C28H24F2N2O/c1-18(24-8-4-6-19-5-2-3-7-25(19)24)31-28(33)21-10-12-27-20(15-21)13-14-32(27)17-22-9-11-23(29)16-26(22)30/h2-12,15-16,18H,13-14,17H2,1H3,(H,31,33)
InChIKeySRSDJTCATXKREU-UHFFFAOYSA-N
MW442.51 g/mol
LogP6.17
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 123844662) has the molecular formula C28H24F2N2O and a molecular weight of 442.51 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID123844662
Molecular FormulaC28H24F2N2O
Molecular Weight442.51 g/mol
Exact Mass442.19
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1F)c1cccc2ccccc12
InChIInChI=1S/C28H24F2N2O/c1-18(24-8-4-6-19-5-2-3-7-25(19)24)31-28(33)21-10-12-27-20(15-21)13-14-32(27)17-22-9-11-23(29)16-26(22)30/h2-12,15-16,18H,13-14,17H2,1H3,(H,31,33)
InChIKeySRSDJTCATXKREU-UHFFFAOYSA-N
XLogP6.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-3-[[6-(1-phenylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123383084
2-[2-fluoro-3-[[6-(1-naphthalen-2-ylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123899971
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662285
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762
3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
CID 68512371
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
N-[1-(3-fluorophenyl)ethyl]-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123920403
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
tert-butyl 2-[2-fluoro-3-[[6-[[(1S)-1-phenylethyl]carbamoyl]-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoate;1-[[2-fluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid;methane;(1S)-1-phenylethanamine
CID 157383212
N-[(1R)-1-[7-[(2,4-difluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxybenzamide
CID 29257388
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide (CID 123844662) is 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1F)c1cccc2ccccc12.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is SRSDJTCATXKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N2O/c1-18(24-8-4-6-19-5-2-3-7-25(19)24)31-28(33)21-10-12-27-20(15-21)13-14-32(27)17-22-9-11-23(29)16-26(22)30/h2-12,15-16,18H,13-14,17H2,1H3,(H,31,33).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-(1-naphthalen-1-ylethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 123844662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).