N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide

C16H12Cl2N2O — CID 112524553

IUPACN-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C16H12Cl2N2O/c1-20-9-8-10-11(4-2-7-14(10)20)16(21)19-13-6-3-5-12(17)15(13)18/h2-9H,1H3,(H,19,21)
InChIKeyITYUZXDBUOBLLM-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.74
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide

N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide (PubChem CID 112524553) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
PubChem CID112524553
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC NameN-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C16H12Cl2N2O/c1-20-9-8-10-11(4-2-7-14(10)20)16(21)19-13-6-3-5-12(17)15(13)18/h2-9H,1H3,(H,19,21)
InChIKeyITYUZXDBUOBLLM-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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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide
CID 167846220
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
N-(1H-indazol-3-yl)-1-methylindole-4-carboxamide
CID 112527943
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
CID 45494179
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide (CID 112524553) is N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide is Cn1ccc2c(C(=O)Nc3cccc(Cl)c3Cl)cccc21.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide?
The InChIKey is ITYUZXDBUOBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-20-9-8-10-11(4-2-7-14(10)20)16(21)19-13-6-3-5-12(17)15(13)18/h2-9H,1H3,(H,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide?
N-(2,3-dichlorophenyl)-1-methylindole-4-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 N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide is sourced from PubChem (CID 112524553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).