N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide

C15H14FNO3 — CID 114344109

IUPACN-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
SMILESCC(NC(=O)c1cccc(O)c1O)c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-9(10-5-2-3-7-12(10)16)17-15(20)11-6-4-8-13(18)14(11)19/h2-9,18-19H,1H3,(H,17,20)
InChIKeyJVPYTTDVCCFOSQ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.73
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide

N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide (PubChem CID 114344109) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
PubChem CID114344109
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
SMILESCC(NC(=O)c1cccc(O)c1O)c1ccccc1F
InChIInChI=1S/C15H14FNO3/c1-9(10-5-2-3-7-12(10)16)17-15(20)11-6-4-8-13(18)14(11)19/h2-9,18-19H,1H3,(H,17,20)
InChIKeyJVPYTTDVCCFOSQ-UHFFFAOYSA-N
XLogP2.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.73
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

3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
CID 39327415
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
4-(chloromethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 81380667
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide (CID 114344109) is N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide is CC(NC(=O)c1cccc(O)c1O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide?
The InChIKey is JVPYTTDVCCFOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9(10-5-2-3-7-12(10)16)17-15(20)11-6-4-8-13(18)14(11)19/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide?
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide has a molecular weight of 275.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).