2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide

C14H12BrClN2O — CID 62908448

IUPAC2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-5-12(17)10(6-8)14(19)18-13-7-9(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWJYIXBXQONFCHH-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide

2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide (PubChem CID 62908448) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
PubChem CID62908448
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-2-5-12(17)10(6-8)14(19)18-13-7-9(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWJYIXBXQONFCHH-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
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

2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
2-amino-N-(2-chloro-5-methylphenyl)-5-methoxybenzamide
CID 107624036
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
CID 115548977
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide (CID 62908448) is 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide?
The InChIKey is WJYIXBXQONFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-5-12(17)10(6-8)14(19)18-13-7-9(15)3-4-11(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide?
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide is sourced from PubChem (CID 62908448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).