N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide

C21H21Cl2N3O5 — CID 43065102

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c(OC)c1OC
InChIInChI=1S/C21H21Cl2N3O5/c1-26(10-17(27)24-12-5-6-13(22)14(23)9-12)21(28)15-7-11-8-16(29-2)19(30-3)20(31-4)18(11)25-15/h5-9,25H,10H2,1-4H3,(H,24,27)
InChIKeyLZZGNVFSZJNQOK-UHFFFAOYSA-N
MW466.32 g/mol
LogP4.21
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 43065102) has the molecular formula C21H21Cl2N3O5 and a molecular weight of 466.32 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID43065102
Molecular FormulaC21H21Cl2N3O5
Molecular Weight466.32 g/mol
Exact Mass465.09
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c(OC)c1OC
InChIInChI=1S/C21H21Cl2N3O5/c1-26(10-17(27)24-12-5-6-13(22)14(23)9-12)21(28)15-7-11-8-16(29-2)19(30-3)20(31-4)18(11)25-15/h5-9,25H,10H2,1-4H3,(H,24,27)
InChIKeyLZZGNVFSZJNQOK-UHFFFAOYSA-N
XLogP4.21
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide with MolForge

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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]-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]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 78867367
(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]-N-methylbenzamide
CID 7718956
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 47027000
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46490770

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide (CID 43065102) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide is COc1cc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c(OC)c1OC.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is LZZGNVFSZJNQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O5/c1-26(10-17(27)24-12-5-6-13(22)14(23)9-12)21(28)15-7-11-8-16(29-2)19(30-3)20(31-4)18(11)25-15/h5-9,25H,10H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 466.32 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 43065102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).