N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide

C19H17BrN2O4 — CID 78867316

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)oc12
InChIInChI=1S/C19H17BrN2O4/c1-11-8-13(20)6-7-14(11)22-17(23)10-21-19(24)16-9-12-4-3-5-15(25-2)18(12)26-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZAKUJYYZGISOKD-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.88
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 78867316) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID78867316
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)oc12
InChIInChI=1S/C19H17BrN2O4/c1-11-8-13(20)6-7-14(11)22-17(23)10-21-19(24)16-9-12-4-3-5-15(25-2)18(12)26-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyZAKUJYYZGISOKD-UHFFFAOYSA-N
XLogP3.88
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27162055
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
(2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31154259
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 71810493
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 78867316) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)oc12.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZAKUJYYZGISOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-11-8-13(20)6-7-14(11)22-17(23)10-21-19(24)16-9-12-4-3-5-15(25-2)18(12)26-16/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 417.26 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78867316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).