N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

C17H18BrNO — CID 62537978

IUPACN-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H18BrNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyHTVLEFJFDQOKQW-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 62537978) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID62537978
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H18BrNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyHTVLEFJFDQOKQW-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (CID 62537978) is N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccc(Br)cc2)cc1C.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is HTVLEFJFDQOKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-3-4-15(9-13(12)2)10-17(20)19-11-14-5-7-16(18)8-6-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 332.24 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62537978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).