N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide

C28H22N2O4 — CID 21213329

IUPACN-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C28H22N2O4/c1-17-13-21(29-27(31)22-14-18-7-3-4-8-19(18)15-25(22)33-2)11-12-23(17)30-28(32)26-16-20-9-5-6-10-24(20)34-26/h3-16H,1-2H3,(H,29,31)(H,30,32)
InChIKeyKTFLNGMAFNDOIU-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.41
Rot. Bonds5

About N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide

N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 21213329) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID21213329
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC NameN-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C28H22N2O4/c1-17-13-21(29-27(31)22-14-18-7-3-4-8-19(18)15-25(22)33-2)11-12-23(17)30-28(32)26-16-20-9-5-6-10-24(20)34-26/h3-16H,1-2H3,(H,29,31)(H,30,32)
InChIKeyKTFLNGMAFNDOIU-UHFFFAOYSA-N
XLogP6.41
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214835
N-[4-[(5-chloro-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214827
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 21213329) is N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KTFLNGMAFNDOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-17-13-21(29-27(31)22-14-18-7-3-4-8-19(18)15-25(22)33-2)11-12-23(17)30-28(32)26-16-20-9-5-6-10-24(20)34-26/h3-16H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21213329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).