N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide

C24H21FN2O — CID 138674551

IUPACN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H21FN2O/c25-22-6-2-1-5-21(22)18-9-7-17(8-10-18)4-3-14-27-24(28)20-11-12-23-19(16-20)13-15-26-23/h1-2,5-13,15-16,26H,3-4,14H2,(H,27,28)
InChIKeyADPSQCBSQOBVHI-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.34
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide (PubChem CID 138674551) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
PubChem CID138674551
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H21FN2O/c25-22-6-2-1-5-21(22)18-9-7-17(8-10-18)4-3-14-27-24(28)20-11-12-23-19(16-20)13-15-26-23/h1-2,5-13,15-16,26H,3-4,14H2,(H,27,28)
InChIKeyADPSQCBSQOBVHI-UHFFFAOYSA-N
XLogP5.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
CID 138674657
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 138674482
1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea
CID 118398454
2-[[4-fluoro-3-[4-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]phenyl]phenyl]methyl]-N-[3-[4-(2-fluorophenyl)phenyl]propyl]-3H-benzimidazole-5-carboxamide
CID 138722240
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide (CID 138674551) is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide is O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide?
The InChIKey is ADPSQCBSQOBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-22-6-2-1-5-21(22)18-9-7-17(8-10-18)4-3-14-27-24(28)20-11-12-23-19(16-20)13-15-26-23/h1-2,5-13,15-16,26H,3-4,14H2,(H,27,28).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 138674551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).