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

C15H13BrClFN2O — CID 2438853

IUPACN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClFN2O/c1-9-2-5-14(11(16)6-9)20-15(21)8-19-10-3-4-13(18)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXBAHUVYBWKYCJQ-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.60
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide (PubChem CID 2438853) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide
PubChem CID2438853
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClFN2O/c1-9-2-5-14(11(16)6-9)20-15(21)8-19-10-3-4-13(18)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXBAHUVYBWKYCJQ-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide (CID 2438853) is N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide?
The InChIKey is XBAHUVYBWKYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-9-2-5-14(11(16)6-9)20-15(21)8-19-10-3-4-13(18)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluoroanilino)acetamide has a molecular weight of 371.64 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 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-fluoroanilino)acetamide is sourced from PubChem (CID 2438853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).