N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide

C14H10Cl2FNO — CID 60628486

IUPACN-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H10Cl2FNO/c1-8-2-7-11(15)13(12(8)16)18-14(19)9-3-5-10(17)6-4-9/h2-7H,1H3,(H,18,19)
InChIKeyXYPXLSZGFUHBGQ-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.69
Rot. Bonds2

About N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide

N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide (PubChem CID 60628486) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
PubChem CID60628486
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H10Cl2FNO/c1-8-2-7-11(15)13(12(8)16)18-14(19)9-3-5-10(17)6-4-9/h2-7H,1H3,(H,18,19)
InChIKeyXYPXLSZGFUHBGQ-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791670
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
CID 106685178

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide (CID 60628486) is N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide?
The InChIKey is XYPXLSZGFUHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c1-8-2-7-11(15)13(12(8)16)18-14(19)9-3-5-10(17)6-4-9/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide?
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide has a molecular weight of 298.14 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 60628486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).