N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide

C15H14ClFN2O — CID 81454782

IUPACN-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-8-6-12(18)13(7-9(8)2)19-15(20)10-4-3-5-11(17)14(10)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyABEFFOQDZIZIJW-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.93
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide

N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide (PubChem CID 81454782) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
PubChem CID81454782
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-8-6-12(18)13(7-9(8)2)19-15(20)10-4-3-5-11(17)14(10)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyABEFFOQDZIZIJW-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-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide (CID 81454782) is N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide is Cc1cc(N)c(NC(=O)c2cccc(F)c2Cl)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide?
The InChIKey is ABEFFOQDZIZIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-8-6-12(18)13(7-9(8)2)19-15(20)10-4-3-5-11(17)14(10)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide?
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-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-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 81454782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).