N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide

C15H10Cl2N2O — CID 63718419

IUPACN-(3,4-dichlorophenyl)-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
InChIKeyJKYNYBKCPRHQEA-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.73
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide

N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide (PubChem CID 63718419) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1H-indole-5-carboxamide
PubChem CID63718419
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC NameN-(3,4-dichlorophenyl)-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20)
InChIKeyJKYNYBKCPRHQEA-UHFFFAOYSA-N
XLogP4.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide (CID 63718419) is N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide?
The InChIKey is JKYNYBKCPRHQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-3-2-11(8-13(12)17)19-15(20)10-1-4-14-9(7-10)5-6-18-14/h1-8,18H,(H,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide?
N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide has a molecular weight of 305.16 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63718419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).