N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide

C22H18N2O — CID 102266591

IUPACN-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H18N2O/c1-15-11-12-17(24-22(25)16-7-3-2-4-8-16)13-19(15)20-14-23-21-10-6-5-9-18(20)21/h2-14,23H,1H3,(H,24,25)
InChIKeySYTWYUHFVUWFFA-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.40
Rot. Bonds3

About N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide

N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide (PubChem CID 102266591) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
PubChem CID102266591
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H18N2O/c1-15-11-12-17(24-22(25)16-7-3-2-4-8-16)13-19(15)20-14-23-21-10-6-5-9-18(20)21/h2-14,23H,1H3,(H,24,25)
InChIKeySYTWYUHFVUWFFA-UHFFFAOYSA-N
XLogP5.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide (CID 102266591) is N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1-c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide?
The InChIKey is SYTWYUHFVUWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-15-11-12-17(24-22(25)16-7-3-2-4-8-16)13-19(15)20-14-23-21-10-6-5-9-18(20)21/h2-14,23H,1H3,(H,24,25).
What are the key properties of N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide?
N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 102266591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).