N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide

C16H15BrClNO2 — CID 24555278

IUPACN-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(Br)cc2Cl)ccc1C
InChIInChI=1S/C16H15BrClNO2/c1-10-3-4-11(7-15(10)21-2)8-16(20)19-14-6-5-12(17)9-13(14)18/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeySMBFINIRUXVWRF-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.60
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide

N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 24555278) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID24555278
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc(Br)cc2Cl)ccc1C
InChIInChI=1S/C16H15BrClNO2/c1-10-3-4-11(7-15(10)21-2)8-16(20)19-14-6-5-12(17)9-13(14)18/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeySMBFINIRUXVWRF-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide (CID 24555278) is N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)Nc2ccc(Br)cc2Cl)ccc1C.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is SMBFINIRUXVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10-3-4-11(7-15(10)21-2)8-16(20)19-14-6-5-12(17)9-13(14)18/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 368.66 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 24555278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).