N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide

C14H12Br2N2O — CID 107971017

IUPACN-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-4-12(2-3-13(8)17)18-14(19)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIKSMYTDPPMZNGN-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.35
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide

N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide (PubChem CID 107971017) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
PubChem CID107971017
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC NameN-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1N
InChIInChI=1S/C14H12Br2N2O/c1-8-4-12(2-3-13(8)17)18-14(19)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIKSMYTDPPMZNGN-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.35
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-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699369
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide (CID 107971017) is N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide is Cc1cc(NC(=O)c2cc(Br)cc(Br)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide?
The InChIKey is IKSMYTDPPMZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-8-4-12(2-3-13(8)17)18-14(19)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide?
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide has a molecular weight of 384.07 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107971017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).