N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide

C19H17Cl2N3O3 — CID 55559726

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C19H17Cl2N3O3/c1-24(10-18(25)22-12-4-6-14(20)15(21)8-12)19(26)17-7-11-3-5-13(27-2)9-16(11)23-17/h3-9,23H,10H2,1-2H3,(H,22,25)
InChIKeyHGANJBZIDKVYTG-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 55559726) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID55559726
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C19H17Cl2N3O3/c1-24(10-18(25)22-12-4-6-14(20)15(21)8-12)19(26)17-7-11-3-5-13(27-2)9-16(11)23-17/h3-9,23H,10H2,1-2H3,(H,22,25)
InChIKeyHGANJBZIDKVYTG-UHFFFAOYSA-N
XLogP4.19
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 47021775
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide
CID 43065102
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylacetamide
CID 24544873
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide (CID 55559726) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is HGANJBZIDKVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-24(10-18(25)22-12-4-6-14(20)15(21)8-12)19(26)17-7-11-3-5-13(27-2)9-16(11)23-17/h3-9,23H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55559726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).