N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide

C15H12Br2ClNO2 — CID 1189036

IUPACN-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-9-6-11(18)3-4-13(9)19-15(20)8-21-14-5-2-10(16)7-12(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyHIPYBDAKJUFZJR-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.19
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide

N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide (PubChem CID 1189036) has the molecular formula C15H12Br2ClNO2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
PubChem CID1189036
Molecular FormulaC15H12Br2ClNO2
Molecular Weight433.53 g/mol
Exact Mass430.89
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-9-6-11(18)3-4-13(9)19-15(20)8-21-14-5-2-10(16)7-12(14)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyHIPYBDAKJUFZJR-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380816
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide (CID 1189036) is N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide is Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is HIPYBDAKJUFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO2/c1-9-6-11(18)3-4-13(9)19-15(20)8-21-14-5-2-10(16)7-12(14)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 433.53 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 1189036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).