1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide

C23H19N3O2 — CID 90075227

IUPAC1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H19N3O2/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20/h1-14H,15H2,(H2,24,27)(H,25,28)
InChIKeyRWVBKZBLFKYEPN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.04
Rot. Bonds5

About 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide

1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide (PubChem CID 90075227) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
PubChem CID90075227
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
SMILESNC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H19N3O2/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20/h1-14H,15H2,(H2,24,27)(H,25,28)
InChIKeyRWVBKZBLFKYEPN-UHFFFAOYSA-N
XLogP4.04
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
4-[(5-acetamidoindol-1-yl)methyl]benzamide
CID 71812129
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
4-[(5-nitroindol-1-yl)methyl]benzamide
CID 70316559
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
CID 167525503
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide (CID 90075227) is 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide is NC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide?
The InChIKey is RWVBKZBLFKYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20/h1-14H,15H2,(H2,24,27)(H,25,28).
What are the key properties of 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide?
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 90075227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).