5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide

C16H12Cl2N2O — CID 4584398

IUPAC5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2N2O/c1-20-14-7-4-12(18)8-10(14)9-15(20)16(21)19-13-5-2-11(17)3-6-13/h2-9H,1H3,(H,19,21)
InChIKeyUNZQJTGIAYAVSK-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.74
Rot. Bonds2

About 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide

5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide (PubChem CID 4584398) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide
PubChem CID4584398
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H12Cl2N2O/c1-20-14-7-4-12(18)8-10(14)9-15(20)16(21)19-13-5-2-11(17)3-6-13/h2-9H,1H3,(H,19,21)
InChIKeyUNZQJTGIAYAVSK-UHFFFAOYSA-N
XLogP4.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide (CID 4584398) is 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide?
The InChIKey is UNZQJTGIAYAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-20-14-7-4-12(18)8-10(14)9-15(20)16(21)19-13-5-2-11(17)3-6-13/h2-9H,1H3,(H,19,21).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide?
5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide has a molecular weight of 319.19 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 4584398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).