3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide

C14H11BrClFN2O — CID 60862528

IUPAC3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(Br)cc2Cl)cc1F
InChIInChI=1S/C14H11BrClFN2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-10(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLDRDOICHNDJVQB-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

About 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide

3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60862528) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID60862528
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(Br)cc2Cl)cc1F
InChIInChI=1S/C14H11BrClFN2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-10(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLDRDOICHNDJVQB-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.38
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

3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide (CID 60862528) is 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2ccc(Br)cc2Cl)cc1F.
What is the InChIKey of 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is LDRDOICHNDJVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(15)6-10(13)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 357.61 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60862528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).