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

C17H19BrN2O2 — CID 108998363

IUPACN-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccccc1CNCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-7-8-14(9-15(12)18)20-17(21)11-19-10-13-5-3-4-6-16(13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyWFHCFAAEXQSUNS-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.49
Rot. Bonds6

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

N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide (PubChem CID 108998363) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
PubChem CID108998363
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccccc1CNCC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-7-8-14(9-15(12)18)20-17(21)11-19-10-13-5-3-4-6-16(13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyWFHCFAAEXQSUNS-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 78874633
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide (CID 108998363) is N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide is COc1ccccc1CNCC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
The InChIKey is WFHCFAAEXQSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-7-8-14(9-15(12)18)20-17(21)11-19-10-13-5-3-4-6-16(13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide?
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 108998363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).