N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide

C20H19Cl2N3O4 — CID 47021775

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2[nH]c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C20H19Cl2N3O4/c1-25(10-18(26)23-12-4-5-14(21)15(22)8-12)20(27)16-7-11-6-13(28-2)9-17(29-3)19(11)24-16/h4-9,24H,10H2,1-3H3,(H,23,26)
InChIKeyPHPOFGGKTSVLEO-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 47021775) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID47021775
Molecular FormulaC20H19Cl2N3O4
Molecular Weight436.30 g/mol
Exact Mass435.08
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2[nH]c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1
InChIInChI=1S/C20H19Cl2N3O4/c1-25(10-18(26)23-12-4-5-14(21)15(22)8-12)20(27)16-7-11-6-13(28-2)9-17(29-3)19(11)24-16/h4-9,24H,10H2,1-3H3,(H,23,26)
InChIKeyPHPOFGGKTSVLEO-UHFFFAOYSA-N
XLogP4.20
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 55559726
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129
(E)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 30253911
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 78867367
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
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]-N,3-dimethylthiophene-2-carboxamide
CID 31182814

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide (CID 47021775) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide is COc1cc(OC)c2[nH]c(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is PHPOFGGKTSVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c1-25(10-18(26)23-12-4-5-14(21)15(22)8-12)20(27)16-7-11-6-13(28-2)9-17(29-3)19(11)24-16/h4-9,24H,10H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 47021775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).