3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide

C14H12BrClN2O — CID 107623979

IUPAC3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-10(15)5-3-7-12(8)18-14(19)9-4-2-6-11(17)13(9)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBBIZJIABQBMIKP-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide

3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide (PubChem CID 107623979) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
PubChem CID107623979
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-10(15)5-3-7-12(8)18-14(19)9-4-2-6-11(17)13(9)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBBIZJIABQBMIKP-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

3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
CID 107623964
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide?
The IUPAC name of 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide (CID 107623979) is 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide is Cc1c(Br)cccc1NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide?
The InChIKey is BBIZJIABQBMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-10(15)5-3-7-12(8)18-14(19)9-4-2-6-11(17)13(9)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide?
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide 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 3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 107623979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).