4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide

C22H17ClN2O — CID 3071692

IUPAC4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17ClN2O/c1-15-19-9-5-6-10-20(19)25(18-7-3-2-4-8-18)21(15)24-22(26)16-11-13-17(23)14-12-16/h2-14H,1H3,(H,24,26)
InChIKeyAULWBXLMKGMBPQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.84
Rot. Bonds3

About 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide

4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide (PubChem CID 3071692) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide
PubChem CID3071692
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17ClN2O/c1-15-19-9-5-6-10-20(19)25(18-7-3-2-4-8-18)21(15)24-22(26)16-11-13-17(23)14-12-16/h2-14H,1H3,(H,24,26)
InChIKeyAULWBXLMKGMBPQ-UHFFFAOYSA-N
XLogP5.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide (CID 3071692) is 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide is Cc1c(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide?
The InChIKey is AULWBXLMKGMBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c1-15-19-9-5-6-10-20(19)25(18-7-3-2-4-8-18)21(15)24-22(26)16-11-13-17(23)14-12-16/h2-14H,1H3,(H,24,26).
What are the key properties of 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide?
4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide has a molecular weight of 360.84 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-1-phenylindol-2-yl)benzamide is sourced from PubChem (CID 3071692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).