N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide

C17H19BrN2O — CID 115876077

IUPACN-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H19BrN2O/c1-11-4-6-14(8-16(11)18)10-19-17-9-15(20-13(3)21)7-5-12(17)2/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyASTQEWWTHIPDIJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.64
Rot. Bonds4

About N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide

N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide (PubChem CID 115876077) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
PubChem CID115876077
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C17H19BrN2O/c1-11-4-6-14(8-16(11)18)10-19-17-9-15(20-13(3)21)7-5-12(17)2/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyASTQEWWTHIPDIJ-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 105401189
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
CID 63329529

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide (CID 115876077) is N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2ccc(C)c(Br)c2)c1.
What is the InChIKey of N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is ASTQEWWTHIPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-4-6-14(8-16(11)18)10-19-17-9-15(20-13(3)21)7-5-12(17)2/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 115876077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).