N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide

C15H14ClFN2O — CID 104667416

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H14ClFN2O/c1-8-4-3-5-10(14(8)17)15(20)19-13-7-11(16)12(18)6-9(13)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyDSQSQFKNDXDTEQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.93
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide

N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 104667416) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID104667416
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H14ClFN2O/c1-8-4-3-5-10(14(8)17)15(20)19-13-7-11(16)12(18)6-9(13)2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyDSQSQFKNDXDTEQ-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-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390
N-(4-amino-5-chloro-2-methylphenyl)-2-bromo-4-methylbenzamide
CID 104667657
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide (CID 104667416) is N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)c(Cl)cc1NC(=O)c1cccc(C)c1F.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is DSQSQFKNDXDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-8-4-3-5-10(14(8)17)15(20)19-13-7-11(16)12(18)6-9(13)2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide 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-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 104667416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).