N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide

C18H20Br2N2O3 — CID 22108972

IUPACN-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C18H20Br2N2O3/c1-4-25-16-8-6-13(10-17(16)24-3)21-11(2)18(23)22-15-7-5-12(19)9-14(15)20/h5-11,21H,4H2,1-3H3,(H,22,23)
InChIKeyWBXSTEFSRCABOE-UHFFFAOYSA-N
MW472.18 g/mol
LogP5.06
Rot. Bonds7

About N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide

N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide (PubChem CID 22108972) has the molecular formula C18H20Br2N2O3 and a molecular weight of 472.18 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide
PubChem CID22108972
Molecular FormulaC18H20Br2N2O3
Molecular Weight472.18 g/mol
Exact Mass469.98
IUPAC NameN-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C18H20Br2N2O3/c1-4-25-16-8-6-13(10-17(16)24-3)21-11(2)18(23)22-15-7-5-12(19)9-14(15)20/h5-11,21H,4H2,1-3H3,(H,22,23)
InChIKeyWBXSTEFSRCABOE-UHFFFAOYSA-N
XLogP5.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.18
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylanilino)propanamide
CID 51242692
methyl 2-(4-bromo-2-ethoxyanilino)propanoate
CID 175074340
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
CID 86901200

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide (CID 22108972) is N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide is CCOc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2Br)cc1OC.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide?
The InChIKey is WBXSTEFSRCABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2O3/c1-4-25-16-8-6-13(10-17(16)24-3)21-11(2)18(23)22-15-7-5-12(19)9-14(15)20/h5-11,21H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide?
N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide has a molecular weight of 472.18 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(4-ethoxy-3-methoxyanilino)propanamide is sourced from PubChem (CID 22108972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).