N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide

C30H24N2O4 — CID 3374467

IUPACN-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(COc3ccccc3)c2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H24N2O4/c1-20-16-24(14-15-26(20)32-30(34)28-18-22-9-5-6-13-27(22)36-28)31-29(33)23-10-7-8-21(17-23)19-35-25-11-3-2-4-12-25/h2-18H,19H2,1H3,(H,31,33)(H,32,34)
InChIKeyZAWYTWMTTCYEPH-UHFFFAOYSA-N
MW476.53 g/mol
LogP6.82
Rot. Bonds7

About N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide

N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 3374467) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID3374467
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC NameN-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(COc3ccccc3)c2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H24N2O4/c1-20-16-24(14-15-26(20)32-30(34)28-18-22-9-5-6-13-27(22)36-28)31-29(33)23-10-7-8-21(17-23)19-35-25-11-3-2-4-12-25/h2-18H,19H2,1H3,(H,31,33)(H,32,34)
InChIKeyZAWYTWMTTCYEPH-UHFFFAOYSA-N
XLogP6.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
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-[2-methyl-4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17112248
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[4-[[3-[(2R)-butan-2-yl]oxybenzoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 39366161
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[3-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17314567
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide (CID 3374467) is N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2cccc(COc3ccccc3)c2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZAWYTWMTTCYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-20-16-24(14-15-26(20)32-30(34)28-18-22-9-5-6-13-27(22)36-28)31-29(33)23-10-7-8-21(17-23)19-35-25-11-3-2-4-12-25/h2-18H,19H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3374467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).