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

C16H12Cl2N2O2 — CID 113206126

IUPACN-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C16H12Cl2N2O2/c1-22-12-2-3-15-13(7-12)14(8-19-15)16(21)20-11-5-9(17)4-10(18)6-11/h2-8,19H,1H3,(H,20,21)
InChIKeyBPNPQWOFILAUSH-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.74
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide (PubChem CID 113206126) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
PubChem CID113206126
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC NameN-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C16H12Cl2N2O2/c1-22-12-2-3-15-13(7-12)14(8-19-15)16(21)20-11-5-9(17)4-10(18)6-11/h2-8,19H,1H3,(H,20,21)
InChIKeyBPNPQWOFILAUSH-UHFFFAOYSA-N
XLogP4.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide (CID 113206126) is N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide?
The InChIKey is BPNPQWOFILAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-22-12-2-3-15-13(7-12)14(8-19-15)16(21)20-11-5-9(17)4-10(18)6-11/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide?
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).