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

C18H21BrN2O — CID 109019380

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

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

N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019380) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019380
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCc2ccccc2C)c(Br)c1
InChIInChI=1S/C18H21BrN2O/c1-13-7-8-17(16(19)11-13)21-18(22)9-10-20-12-15-6-4-3-5-14(15)2/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyDJGOTKBWKIEWRM-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-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019394
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022224
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019380) is N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccc(NC(=O)CCNCc2ccccc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is DJGOTKBWKIEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-13-7-8-17(16(19)11-13)21-18(22)9-10-20-12-15-6-4-3-5-14(15)2/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(2-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-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).