N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide

C14H11ClFNO3 — CID 65434031

IUPACN-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-20-12-4-2-3-10(16)13(12)14(19)17-11-6-5-8(18)7-9(11)15/h2-7,18H,1H3,(H,17,19)
InChIKeyXNNDLRUSMGOTTB-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.45
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide

N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65434031) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
PubChem CID65434031
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-20-12-4-2-3-10(16)13(12)14(19)17-11-6-5-8(18)7-9(11)15/h2-7,18H,1H3,(H,17,19)
InChIKeyXNNDLRUSMGOTTB-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
CID 28546769
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
3-chloro-4-[(2,6-dimethoxybenzoyl)amino]benzenesulfonic acid
CID 139945414

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide (CID 65434031) is N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is XNNDLRUSMGOTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-20-12-4-2-3-10(16)13(12)14(19)17-11-6-5-8(18)7-9(11)15/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide?
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 295.70 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).