N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C27H23NO3 — CID 42782300

IUPACN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(c1cccc2c1OCC2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO3/c29-27(25-14-6-11-21-15-17-31-26(21)25)28(19-23-12-7-16-30-23)18-22-10-4-5-13-24(22)20-8-2-1-3-9-20/h1-14,16H,15,17-19H2
InChIKeyBPFLNQCVHBDDTA-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.72
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 42782300) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID42782300
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(c1cccc2c1OCC2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO3/c29-27(25-14-6-11-21-15-17-31-26(21)25)28(19-23-12-7-16-30-23)18-22-10-4-5-13-24(22)20-8-2-1-3-9-20/h1-14,16H,15,17-19H2
InChIKeyBPFLNQCVHBDDTA-UHFFFAOYSA-N
XLogP5.72
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782299
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56738321
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 1460043
N,N-bis(furan-2-ylmethyl)-2-propoxybenzamide
CID 35526728
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid
CID 166268160
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 42782300) is N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(c1cccc2c1OCC2)N(Cc1ccco1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BPFLNQCVHBDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-27(25-14-6-11-21-15-17-31-26(21)25)28(19-23-12-7-16-30-23)18-22-10-4-5-13-24(22)20-8-2-1-3-9-20/h1-14,16H,15,17-19H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-phenylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 42782300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).