2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide

C16H14Cl2FNO3 — CID 27669456

IUPAC2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
SMILESCOc1cc(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2FNO3/c1-8-4-14(22-2)15(23-3)7-13(8)20-16(21)9-5-12(19)11(18)6-10(9)17/h4-7H,1-3H3,(H,20,21)
InChIKeyHQKHXHQMPZONHS-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.71
Rot. Bonds4

About 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide

2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide (PubChem CID 27669456) has the molecular formula C16H14Cl2FNO3 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
PubChem CID27669456
Molecular FormulaC16H14Cl2FNO3
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
SMILESCOc1cc(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2FNO3/c1-8-4-14(22-2)15(23-3)7-13(8)20-16(21)9-5-12(19)11(18)6-10(9)17/h4-7H,1-3H3,(H,20,21)
InChIKeyHQKHXHQMPZONHS-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.71
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

2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496998
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725
2-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)-5-phenylbenzamide
CID 99087184
2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide
CID 71919092
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide (CID 27669456) is 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide is COc1cc(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide?
The InChIKey is HQKHXHQMPZONHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO3/c1-8-4-14(22-2)15(23-3)7-13(8)20-16(21)9-5-12(19)11(18)6-10(9)17/h4-7H,1-3H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide has a molecular weight of 358.20 g/mol, XLogP of 4.71, 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-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 27669456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).