N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide

C19H16Cl2N2O4 — CID 78867367

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)oc12
InChIInChI=1S/C19H16Cl2N2O4/c1-23(10-17(24)22-12-6-7-13(20)14(21)9-12)19(25)16-8-11-4-3-5-15(26-2)18(11)27-16/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyLONASZRJMQKDBI-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 78867367) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
PubChem CID78867367
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)oc12
InChIInChI=1S/C19H16Cl2N2O4/c1-23(10-17(24)22-12-6-7-13(20)14(21)9-12)19(25)16-8-11-4-3-5-15(26-2)18(11)27-16/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyLONASZRJMQKDBI-UHFFFAOYSA-N
XLogP4.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 7936674
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]-5,7-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 47021775
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide (CID 78867367) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)oc12.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LONASZRJMQKDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-23(10-17(24)22-12-6-7-13(20)14(21)9-12)19(25)16-8-11-4-3-5-15(26-2)18(11)27-16/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 407.25 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78867367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).