N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C25H22N2O4 — CID 55899409

IUPACN-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C25H22N2O4/c1-16-20(26-24(28)17-9-4-3-5-10-17)12-8-13-21(16)27-25(29)23-19(15-30-2)18-11-6-7-14-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHCYVKWJYYLPFCH-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.39
Rot. Bonds6

About N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55899409) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID55899409
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C25H22N2O4/c1-16-20(26-24(28)17-9-4-3-5-10-17)12-8-13-21(16)27-25(29)23-19(15-30-2)18-11-6-7-14-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyHCYVKWJYYLPFCH-UHFFFAOYSA-N
XLogP5.39
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 55899409) is N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)oc2ccccc12.
What is the InChIKey of N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HCYVKWJYYLPFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-20(26-24(28)17-9-4-3-5-10-17)12-8-13-21(16)27-25(29)23-19(15-30-2)18-11-6-7-14-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55899409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).