N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

C15H12BrClFNO2 — CID 7751301

IUPACN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrClFNO2/c1-9-2-5-14(11(16)6-9)19-15(20)8-21-10-3-4-13(18)12(17)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyABOXLAJHVCCACT-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.57
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (PubChem CID 7751301) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
PubChem CID7751301
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H12BrClFNO2/c1-9-2-5-14(11(16)6-9)19-15(20)8-21-10-3-4-13(18)12(17)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyABOXLAJHVCCACT-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (CID 7751301) is N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The InChIKey is ABOXLAJHVCCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-9-2-5-14(11(16)6-9)19-15(20)8-21-10-3-4-13(18)12(17)7-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide has a molecular weight of 372.62 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 7751301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).