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

C14H12BrClN2O — CID 62913176

IUPAC5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-11(8)14(19)18-13-6-9(15)3-5-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPOVFYNXAAMNCMI-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

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

5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide (PubChem CID 62913176) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
PubChem CID62913176
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-11(8)14(19)18-13-6-9(15)3-5-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPOVFYNXAAMNCMI-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

5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide (CID 62913176) is 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide?
The InChIKey is POVFYNXAAMNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-4-10(17)7-11(8)14(19)18-13-6-9(15)3-5-12(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide?
5-amino-N-(5-bromo-2-chlorophenyl)-2-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 5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 62913176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).