3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide

C15H15BrN2O — CID 82761463

IUPAC3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-9-3-6-12(16)14(7-9)18-15(19)11-5-4-10(2)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeySMDCDRLVVWODLS-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

About 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide

3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide (PubChem CID 82761463) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
PubChem CID82761463
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-9-3-6-12(16)14(7-9)18-15(19)11-5-4-10(2)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeySMDCDRLVVWODLS-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.90
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-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide (CID 82761463) is 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide is Cc1ccc(Br)c(NC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide?
The InChIKey is SMDCDRLVVWODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-3-6-12(16)14(7-9)18-15(19)11-5-4-10(2)13(17)8-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide?
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 82761463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).