2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide

C15H12Cl2FNO3 — CID 9192573

IUPAC2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C15H12Cl2FNO3/c1-21-8-3-4-13(14(5-8)22-2)19-15(20)9-6-12(18)11(17)7-10(9)16/h3-7H,1-2H3,(H,19,20)
InChIKeyXQMGCWHEOSQRLU-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.40
Rot. Bonds4

About 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide

2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide (PubChem CID 9192573) has the molecular formula C15H12Cl2FNO3 and a molecular weight of 344.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
PubChem CID9192573
Molecular FormulaC15H12Cl2FNO3
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C15H12Cl2FNO3/c1-21-8-3-4-13(14(5-8)22-2)19-15(20)9-6-12(18)11(17)7-10(9)16/h3-7H,1-2H3,(H,19,20)
InChIKeyXQMGCWHEOSQRLU-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide (CID 9192573) is 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide is COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide?
The InChIKey is XQMGCWHEOSQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3/c1-21-8-3-4-13(14(5-8)22-2)19-15(20)9-6-12(18)11(17)7-10(9)16/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide has a molecular weight of 344.17 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 9192573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).