1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide

C25H22F2N2O2 — CID 71109938

IUPAC1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C25H22F2N2O2/c1-2-21(16-7-4-3-5-8-16)28-24(30)18-11-12-22-17(15-18)13-14-29(22)25(31)19-9-6-10-20(26)23(19)27/h3-12,15,21H,2,13-14H2,1H3,(H,28,30)
InChIKeyUSXXVPLGPQXOKJ-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.05
Rot. Bonds5

About 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide

1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 71109938) has the molecular formula C25H22F2N2O2 and a molecular weight of 420.46 g/mol. Its IUPAC name is 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
PubChem CID71109938
Molecular FormulaC25H22F2N2O2
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C25H22F2N2O2/c1-2-21(16-7-4-3-5-8-16)28-24(30)18-11-12-22-17(15-18)13-14-29(22)25(31)19-9-6-10-20(26)23(19)27/h3-12,15,21H,2,13-14H2,1H3,(H,28,30)
InChIKeyUSXXVPLGPQXOKJ-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
N-[2-oxo-1-phenyl-2-(propylamino)ethyl]-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-2,3-dihydroindole-5-carboxamide
CID 75022809
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
CID 175217591
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 45342349
1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 166227368

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide (CID 71109938) is 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1F)c1ccccc1.
What is the InChIKey of 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is USXXVPLGPQXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O2/c1-2-21(16-7-4-3-5-8-16)28-24(30)18-11-12-22-17(15-18)13-14-29(22)25(31)19-9-6-10-20(26)23(19)27/h3-12,15,21H,2,13-14H2,1H3,(H,28,30).
What are the key properties of 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide?
1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorobenzoyl)-N-(1-phenylpropyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 71109938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).