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

C18H21BrN2O — CID 109019343

IUPACN-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCc2ccccc2C)cc1Br
InChIInChI=1S/C18H21BrN2O/c1-13-5-3-4-6-15(13)12-20-10-9-18(22)21-16-8-7-14(2)17(19)11-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWLOBDGUPCLTICD-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.18
Rot. Bonds6

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

N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019343) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019343
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCc2ccccc2C)cc1Br
InChIInChI=1S/C18H21BrN2O/c1-13-5-3-4-6-15(13)12-20-10-9-18(22)21-16-8-7-14(2)17(19)11-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWLOBDGUPCLTICD-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019380
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019343) is N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccc(NC(=O)CCNCc2ccccc2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is WLOBDGUPCLTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-5-3-4-6-15(13)12-20-10-9-18(22)21-16-8-7-14(2)17(19)11-16/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 361.28 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).