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

C14H11BrClFN2O — CID 116813593

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(12(18)5-7)19-14(20)9-3-2-8(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRZYRTNBTALUAFG-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.38
Rot. Bonds2

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

N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide (PubChem CID 116813593) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
PubChem CID116813593
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(12(18)5-7)19-14(20)9-3-2-8(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRZYRTNBTALUAFG-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-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
CID 43548096
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide (CID 116813593) is N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide is Cc1cc(N)c(NC(=O)c2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is RZYRTNBTALUAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-7-4-10(15)13(12(18)5-7)19-14(20)9-3-2-8(17)6-11(9)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide?
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-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-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 116813593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).