N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide

C15H14BrClN2O2 — CID 61028460

IUPACN-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-18-11-3-5-12(6-4-11)21-9-15(20)19-14-7-2-10(16)8-13(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyDJBXCDOCLUNGJL-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide

N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 61028460) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
PubChem CID61028460
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-18-11-3-5-12(6-4-11)21-9-15(20)19-14-7-2-10(16)8-13(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyDJBXCDOCLUNGJL-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.16
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-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
N-(4-bromo-2-chlorophenyl)-2-[4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 18772982
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 91689036

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide (CID 61028460) is N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is DJBXCDOCLUNGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-18-11-3-5-12(6-4-11)21-9-15(20)19-14-7-2-10(16)8-13(14)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 369.65 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 61028460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).