2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide

C19H18N2O3 — CID 70063500

IUPAC2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide
SMILESNC(=O)CC(Cc1ccc(-c2occ3ccccc23)cc1)C(N)=O
InChIInChI=1S/C19H18N2O3/c20-17(22)10-15(19(21)23)9-12-5-7-13(8-6-12)18-16-4-2-1-3-14(16)11-24-18/h1-8,11,15H,9-10H2,(H2,20,22)(H2,21,23)
InChIKeyNFFQGXJOFUSWDX-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.62
Rot. Bonds6

About 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide

2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide (PubChem CID 70063500) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide.

Molecular Properties

Compound Name2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide
PubChem CID70063500
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide
SMILESNC(=O)CC(Cc1ccc(-c2occ3ccccc23)cc1)C(N)=O
InChIInChI=1S/C19H18N2O3/c20-17(22)10-15(19(21)23)9-12-5-7-13(8-6-12)18-16-4-2-1-3-14(16)11-24-18/h1-8,11,15H,9-10H2,(H2,20,22)(H2,21,23)
InChIKeyNFFQGXJOFUSWDX-UHFFFAOYSA-N
XLogP2.62
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
CID 70062971
(2S)-4-(2-benzofuran-1-yl)-2-benzyl-4-oxobutanoic acid
CID 70357439
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]butanediamide
CID 70064312
2-[(2-hydroxyphenyl)methyl]butanediamide
CID 70063136
(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
CID 142645744
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
methyl 4-oxo-2-[(4-phenanthren-9-ylphenyl)methyl]pentanoate
CID 58560275
2-benzylheptanediamide
CID 154384370
2-benzyl-3-[formyl(hydroxy)amino]propanamide
CID 87592529

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide?
The IUPAC name of 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide (CID 70063500) is 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide.
What is the SMILES notation for 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide?
The canonical SMILES for 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide is NC(=O)CC(Cc1ccc(-c2occ3ccccc23)cc1)C(N)=O.
What is the InChIKey of 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide?
The InChIKey is NFFQGXJOFUSWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-17(22)10-15(19(21)23)9-12-5-7-13(8-6-12)18-16-4-2-1-3-14(16)11-24-18/h1-8,11,15H,9-10H2,(H2,20,22)(H2,21,23).
What are the key properties of 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide?
2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide has a molecular weight of 322.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide is sourced from PubChem (CID 70063500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).