3,4-dichloro-2-fluoro-N-methoxybenzamide

C8H6Cl2FNO2 — CID 164894951

IUPAC3,4-dichloro-2-fluoro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(Cl)c1F
InChIInChI=1S/C8H6Cl2FNO2/c1-14-12-8(13)4-2-3-5(9)6(10)7(4)11/h2-3H,1H3,(H,12,13)
InChIKeyMMHLLUWACUYUQN-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.42
Rot. Bonds2

About 3,4-dichloro-2-fluoro-N-methoxybenzamide

3,4-dichloro-2-fluoro-N-methoxybenzamide (PubChem CID 164894951) has the molecular formula C8H6Cl2FNO2 and a molecular weight of 238.04 g/mol. Its IUPAC name is 3,4-dichloro-2-fluoro-N-methoxybenzamide.

Molecular Properties

Compound Name3,4-dichloro-2-fluoro-N-methoxybenzamide
PubChem CID164894951
Molecular FormulaC8H6Cl2FNO2
Molecular Weight238.04 g/mol
Exact Mass236.98
IUPAC Name3,4-dichloro-2-fluoro-N-methoxybenzamide
SMILESCONC(=O)c1ccc(Cl)c(Cl)c1F
InChIInChI=1S/C8H6Cl2FNO2/c1-14-12-8(13)4-2-3-5(9)6(10)7(4)11/h2-3H,1H3,(H,12,13)
InChIKeyMMHLLUWACUYUQN-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
CID 24852478
5,6-dichloro-N-methoxy-2-methylpyridine-3-carboxamide
CID 130565231
methyl 3-chloro-2-fluoro-4-(trifluoromethyl)benzoate
CID 134646250
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
(1Z)-3,4-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 126566494

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-fluoro-N-methoxybenzamide?
The IUPAC name of 3,4-dichloro-2-fluoro-N-methoxybenzamide (CID 164894951) is 3,4-dichloro-2-fluoro-N-methoxybenzamide.
What is the SMILES notation for 3,4-dichloro-2-fluoro-N-methoxybenzamide?
The canonical SMILES for 3,4-dichloro-2-fluoro-N-methoxybenzamide is CONC(=O)c1ccc(Cl)c(Cl)c1F.
What is the InChIKey of 3,4-dichloro-2-fluoro-N-methoxybenzamide?
The InChIKey is MMHLLUWACUYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FNO2/c1-14-12-8(13)4-2-3-5(9)6(10)7(4)11/h2-3H,1H3,(H,12,13).
What are the key properties of 3,4-dichloro-2-fluoro-N-methoxybenzamide?
3,4-dichloro-2-fluoro-N-methoxybenzamide has a molecular weight of 238.04 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-fluoro-N-methoxybenzamide is sourced from PubChem (CID 164894951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).