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

C14H11BrClFN2O — CID 107873288

IUPAC3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H11BrClFN2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20)
InChIKeyBMPLAHDZGNXFGU-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

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

3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide (PubChem CID 107873288) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
PubChem CID107873288
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H11BrClFN2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20)
InChIKeyBMPLAHDZGNXFGU-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-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
4-amino-N-(3-chloro-5-fluorophenyl)-3-methylbenzamide
CID 107363413
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide (CID 107873288) is 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide?
The InChIKey is BMPLAHDZGNXFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-12(2-8(15)3-13(7)18)14(20)19-11-5-9(16)4-10(17)6-11/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-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-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 107873288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).