N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide

C16H17BrN2O — CID 62552957

IUPACN-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Br)cc2N)cc1C
InChIInChI=1S/C16H17BrN2O/c1-10-3-4-12(7-11(10)2)8-16(20)19-15-6-5-13(17)9-14(15)18/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyYHJJHEFVOLDEDD-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.83
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide

N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 62552957) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID62552957
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Br)cc2N)cc1C
InChIInChI=1S/C16H17BrN2O/c1-10-3-4-12(7-11(10)2)8-16(20)19-15-6-5-13(17)9-14(15)18/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyYHJJHEFVOLDEDD-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.83
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-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
2-(3,4-dimethylphenyl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 64792942
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide (CID 62552957) is N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Br)cc2N)cc1C.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is YHJJHEFVOLDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-3-4-12(7-11(10)2)8-16(20)19-15-6-5-13(17)9-14(15)18/h3-7,9H,8,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide?
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62552957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).