3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide

C16H12Cl2N2O — CID 46947643

IUPAC3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
InChIInChI=1S/C16H12Cl2N2O/c1-9-6-11-7-12(3-5-15(11)19-9)20-16(21)10-2-4-13(17)14(18)8-10/h2-8,19H,1H3,(H,20,21)
InChIKeyICMYUZJRKLEKDA-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.04
Rot. Bonds2

About 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide

3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide (PubChem CID 46947643) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide
PubChem CID46947643
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
InChIInChI=1S/C16H12Cl2N2O/c1-9-6-11-7-12(3-5-15(11)19-9)20-16(21)10-2-4-13(17)14(18)8-10/h2-8,19H,1H3,(H,20,21)
InChIKeyICMYUZJRKLEKDA-UHFFFAOYSA-N
XLogP5.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
(3,4-dichlorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298410
3-Chloro-N-(2-methyl-1H-indol-5-yl)benzamide
CID 24219273
Cdk1 inhibitor
CID 5472558
N-(2-Methyl-1H-indol-5-yl)benzamide
CID 24219274
5-chloro-N-(4-chlorophenyl)-1-methyl-1H-indole-2-carboxamide
CID 4584398
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
CID 3995234
CID 11324804
CID 11324804
5,6-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 72711186
6,7-dichloro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 72711188
4-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 744384
[1-(4-chlorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](3,4-dichlorophenyl)methanone
CID 3620243

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide (CID 46947643) is 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide is Cc1cc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1.
What is the InChIKey of 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide?
The InChIKey is ICMYUZJRKLEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-6-11-7-12(3-5-15(11)19-9)20-16(21)10-2-4-13(17)14(18)8-10/h2-8,19H,1H3,(H,20,21).
What are the key properties of 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide?
3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide has a molecular weight of 319.19 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methyl-1H-indol-5-yl)benzamide is sourced from PubChem (CID 46947643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).