N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide

C14H12ClFN2O — CID 43330061

IUPACN-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-3-2-4-12(17)13(8)18-14(19)10-6-5-9(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLCYJBLJRSDXMJT-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide

N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide (PubChem CID 43330061) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
PubChem CID43330061
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1cccc(N)c1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-3-2-4-12(17)13(8)18-14(19)10-6-5-9(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLCYJBLJRSDXMJT-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.62
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-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
CID 43548096
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(2-amino-6-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 43330005
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
N-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide (CID 43330061) is N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide is Cc1cccc(N)c1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is LCYJBLJRSDXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-3-2-4-12(17)13(8)18-14(19)10-6-5-9(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide?
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 43330061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).