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

C14H11BrClFN2O — CID 43549986

IUPACN-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-3-2-9(16)6-11(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHEKICOXOGJTNTJ-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

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

N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide (PubChem CID 43549986) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
PubChem CID43549986
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-3-2-9(16)6-11(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHEKICOXOGJTNTJ-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

N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide (CID 43549986) is N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide is Cc1cc(Br)cc(N)c1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide?
The InChIKey is HEKICOXOGJTNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-3-2-9(16)6-11(10)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide?
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide 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 N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 43549986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).