N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide

C17H19BrN2O — CID 115876095

IUPACN-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-11-4-5-14(9-16(11)18)10-19-15-6-7-17(12(2)8-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyCSLDBOMEUPLXGE-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.64
Rot. Bonds4

About N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide

N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 115876095) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID115876095
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H19BrN2O/c1-11-4-5-14(9-16(11)18)10-19-15-6-7-17(12(2)8-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyCSLDBOMEUPLXGE-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-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[(3-bromo-4-methylphenyl)methyl]-3-iodo-4-methylaniline
CID 105401249
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911
2-[4-[(3-bromo-4-methylanilino)methyl]phenyl]acetic acid
CID 103251368
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide (CID 115876095) is N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(C)c(Br)c2)cc1C.
What is the InChIKey of N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is CSLDBOMEUPLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-4-5-14(9-16(11)18)10-19-15-6-7-17(12(2)8-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide?
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-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-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 115876095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).