N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide

C14H12FNO4 — CID 114344130

IUPACN-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H12FNO4/c1-20-12-7-8(15)5-6-10(12)16-14(19)9-3-2-4-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyGTNMBPMTXVOTRS-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.50
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide

N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide (PubChem CID 114344130) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
PubChem CID114344130
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H12FNO4/c1-20-12-7-8(15)5-6-10(12)16-14(19)9-3-2-4-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyGTNMBPMTXVOTRS-UHFFFAOYSA-N
XLogP2.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.50
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

2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
CID 135296532
N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
CID 86982656
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
CID 137374056

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide (CID 114344130) is N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide is COc1cc(F)ccc1NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide?
The InChIKey is GTNMBPMTXVOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-20-12-7-8(15)5-6-10(12)16-14(19)9-3-2-4-11(17)13(9)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide?
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide has a molecular weight of 277.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).