N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide

C18H21BrN2O2 — CID 109039955

IUPACN-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-16-7-5-15(6-8-16)20-11-10-18(22)21-17-9-4-14(19)12-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBYKSRTUQNHKVOH-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.60
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide

N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide (PubChem CID 109039955) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
PubChem CID109039955
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H21BrN2O2/c1-3-23-16-7-5-15(6-8-16)20-11-10-18(22)21-17-9-4-14(19)12-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBYKSRTUQNHKVOH-UHFFFAOYSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
ethyl 2-[[3-(4-bromo-2-methylanilino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 133469735
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide (CID 109039955) is N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The InChIKey is BYKSRTUQNHKVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-3-23-16-7-5-15(6-8-16)20-11-10-18(22)21-17-9-4-14(19)12-13(17)2/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide?
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide has a molecular weight of 377.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 109039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).