N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide

C15H14ClFN2O — CID 43548096

IUPACN-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C15H14ClFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-5-4-10(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyNGOXCADVSMGHGJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.93
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide

N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide (PubChem CID 43548096) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
PubChem CID43548096
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C15H14ClFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-5-4-10(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyNGOXCADVSMGHGJ-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide (CID 43548096) is N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide is Cc1ccc(N)c(NC(=O)c2ccc(F)cc2Cl)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is NGOXCADVSMGHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-5-4-10(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide?
N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 43548096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).