N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide

C15H15NO3 — CID 4142764

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-13-7-6-11(10-14(13)18)8-9-16-15(19)12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2,(H,16,19)
InChIKeyXRZQOGYTMIVASG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide

N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (PubChem CID 4142764) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
PubChem CID4142764
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-13-7-6-11(10-14(13)18)8-9-16-15(19)12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2,(H,16,19)
InChIKeyXRZQOGYTMIVASG-UHFFFAOYSA-N
XLogP2.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78799601
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
4-cyano-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796564
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-[2-[2-[2-[[4-[2-(3,4-dihydroxyphenyl)ethylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23758354
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (CID 4142764) is N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The InChIKey is XRZQOGYTMIVASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-7-6-11(10-14(13)18)8-9-16-15(19)12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2,(H,16,19).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 4142764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).