2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide

C15H11Cl2F2NO2 — CID 4852133

IUPAC2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11Cl2F2NO2/c1-7-3-13(14(22-2)6-9(7)16)20-15(21)8-4-11(18)12(19)5-10(8)17/h3-6H,1-2H3,(H,20,21)
InChIKeyXCTVCTKTBQDDMZ-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.84
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide (PubChem CID 4852133) has the molecular formula C15H11Cl2F2NO2 and a molecular weight of 346.16 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
PubChem CID4852133
Molecular FormulaC15H11Cl2F2NO2
Molecular Weight346.16 g/mol
Exact Mass345.01
IUPAC Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H11Cl2F2NO2/c1-7-3-13(14(22-2)6-9(7)16)20-15(21)8-4-11(18)12(19)5-10(8)17/h3-6H,1-2H3,(H,20,21)
InChIKeyXCTVCTKTBQDDMZ-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide (CID 4852133) is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide?
The InChIKey is XCTVCTKTBQDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NO2/c1-7-3-13(14(22-2)6-9(7)16)20-15(21)8-4-11(18)12(19)5-10(8)17/h3-6H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide?
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide has a molecular weight of 346.16 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 4852133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).