1-benzyl-N-methyl-N-phenylindole-3-carboxamide

C23H20N2O — CID 26719094

IUPAC1-benzyl-N-methyl-N-phenylindole-3-carboxamide
SMILESCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-24(19-12-6-3-7-13-19)23(26)21-17-25(16-18-10-4-2-5-11-18)22-15-9-8-14-20(21)22/h2-15,17H,16H2,1H3
InChIKeyNOFWONXOMUSOIF-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.97
Rot. Bonds4

About 1-benzyl-N-methyl-N-phenylindole-3-carboxamide

1-benzyl-N-methyl-N-phenylindole-3-carboxamide (PubChem CID 26719094) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-phenylindole-3-carboxamide
PubChem CID26719094
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-benzyl-N-methyl-N-phenylindole-3-carboxamide
SMILESCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-24(19-12-6-3-7-13-19)23(26)21-17-25(16-18-10-4-2-5-11-18)22-15-9-8-14-20(21)22/h2-15,17H,16H2,1H3
InChIKeyNOFWONXOMUSOIF-UHFFFAOYSA-N
XLogP4.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
1-benzyl-N-[[4-(3-bromo-4-hydroxyphenyl)phenyl]methyl]-N-methylindole-3-carboxamide
CID 68859841
1-(1-benzylindol-3-yl)ethanimine;propanoic acid
CID 144937842
ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate
CID 20846074
1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
CID 97243081
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-phenylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-phenylindole-3-carboxamide (CID 26719094) is 1-benzyl-N-methyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-phenylindole-3-carboxamide is CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-benzyl-N-methyl-N-phenylindole-3-carboxamide?
The InChIKey is NOFWONXOMUSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-24(19-12-6-3-7-13-19)23(26)21-17-25(16-18-10-4-2-5-11-18)22-15-9-8-14-20(21)22/h2-15,17H,16H2,1H3.
What are the key properties of 1-benzyl-N-methyl-N-phenylindole-3-carboxamide?
1-benzyl-N-methyl-N-phenylindole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 26719094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).