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

C17H19BrN2O — CID 108996610

IUPACN-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1cc(NC(=O)CNCc2ccccc2C)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12-5-3-4-6-14(12)10-19-11-17(21)20-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyMPWQWICRZXBLGP-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.79
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide (PubChem CID 108996610) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
PubChem CID108996610
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1cc(NC(=O)CNCc2ccccc2C)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12-5-3-4-6-14(12)10-19-11-17(21)20-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyMPWQWICRZXBLGP-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
N'-(4-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide (CID 108996610) is N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide is Cc1cc(NC(=O)CNCc2ccccc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide?
The InChIKey is MPWQWICRZXBLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-5-3-4-6-14(12)10-19-11-17(21)20-15-7-8-16(18)13(2)9-15/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide has a molecular weight of 347.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 108996610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).