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

C16H15F2NO4 — CID 78796652

IUPAC4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(22)19-8-7-10-1-6-13(20)14(21)9-10/h1-6,9,16,20-21H,7-8H2,(H,19,22)
InChIKeyNEDGGWXQKRMEBH-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.67
Rot. Bonds6

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

4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (PubChem CID 78796652) has the molecular formula C16H15F2NO4 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
PubChem CID78796652
Molecular FormulaC16H15F2NO4
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(22)19-8-7-10-1-6-13(20)14(21)9-10/h1-6,9,16,20-21H,7-8H2,(H,19,22)
InChIKeyNEDGGWXQKRMEBH-UHFFFAOYSA-N
XLogP2.67
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
4-cyano-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796564
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 55396791
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 51201923
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (CID 78796652) is 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)c(O)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The InChIKey is NEDGGWXQKRMEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(22)19-8-7-10-1-6-13(20)14(21)9-10/h1-6,9,16,20-21H,7-8H2,(H,19,22).
What are the key properties of 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide has a molecular weight of 323.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 78796652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).