3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide

C14H10BrClF2N2O — CID 107608760

IUPAC3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2c(Cl)cc(F)cc2Br)cc1F
InChIInChI=1S/C14H10BrClF2N2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(15)4-8(17)5-10(13)16/h2-5H,19H2,1H3,(H,20,21)
InChIKeyIXWPDTRRPWWDEK-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.52
Rot. Bonds2

About 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide

3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 107608760) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID107608760
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2c(Cl)cc(F)cc2Br)cc1F
InChIInChI=1S/C14H10BrClF2N2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(15)4-8(17)5-10(13)16/h2-5H,19H2,1H3,(H,20,21)
InChIKeyIXWPDTRRPWWDEK-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.52
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-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107616628
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide (CID 107608760) is 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2c(Cl)cc(F)cc2Br)cc1F.
What is the InChIKey of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is IXWPDTRRPWWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(15)4-8(17)5-10(13)16/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 375.60 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 107608760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).