1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide

C25H22N2O2 — CID 71075681

IUPAC1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2C(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-2-22(18-9-5-3-6-10-18)26-24(28)21-13-14-23-20(17-21)15-16-27(23)25(29)19-11-7-4-8-12-19/h3-17,22H,2H2,1H3,(H,26,28)
InChIKeySRLOYBALHLGPTD-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.21
Rot. Bonds5

About 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide

1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide (PubChem CID 71075681) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
PubChem CID71075681
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2C(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-2-22(18-9-5-3-6-10-18)26-24(28)21-13-14-23-20(17-21)15-16-27(23)25(29)19-11-7-4-8-12-19/h3-17,22H,2H2,1H3,(H,26,28)
InChIKeySRLOYBALHLGPTD-UHFFFAOYSA-N
XLogP5.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-naphthalen-1-ylsulfonyl-N-(1-phenylpropyl)indole-5-carboxamide
CID 71075876
2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 51049643
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
tert-butyl 3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoate
CID 71074414
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide?
The IUPAC name of 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide (CID 71075681) is 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide?
The canonical SMILES for 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide is CCC(NC(=O)c1ccc2c(ccn2C(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide?
The InChIKey is SRLOYBALHLGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-2-22(18-9-5-3-6-10-18)26-24(28)21-13-14-23-20(17-21)15-16-27(23)25(29)19-11-7-4-8-12-19/h3-17,22H,2H2,1H3,(H,26,28).
What are the key properties of 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide?
1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(1-phenylpropyl)indole-5-carboxamide is sourced from PubChem (CID 71075681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).