3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide

C14H12ClFN2O — CID 60861685

IUPAC3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-8-12(16)5-9(6-13(8)17)14(19)18-11-4-2-3-10(15)7-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVEODZOFFPZVSIK-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide

3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60861685) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID60861685
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-8-12(16)5-9(6-13(8)17)14(19)18-11-4-2-3-10(15)7-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVEODZOFFPZVSIK-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

4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide (CID 60861685) is 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2cccc(Cl)c2)cc1F.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is VEODZOFFPZVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-12(16)5-9(6-13(8)17)14(19)18-11-4-2-3-10(15)7-11/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide 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 3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60861685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).