2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide

C15H14BrClN2O — CID 105401788

IUPAC2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
SMILESCc1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-6-7-10(8-11(9)16)14(15(18)20)19-13-5-3-2-4-12(13)17/h2-8,14,19H,1H3,(H2,18,20)
InChIKeySLPPBWWDLGAEEI-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide

2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide (PubChem CID 105401788) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
PubChem CID105401788
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
SMILESCc1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-6-7-10(8-11(9)16)14(15(18)20)19-13-5-3-2-4-12(13)17/h2-8,14,19H,1H3,(H2,18,20)
InChIKeySLPPBWWDLGAEEI-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61005849
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
CID 61006312
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783
2-(2-chloroanilino)-2-(3-cyanophenyl)acetamide
CID 61006310
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide (CID 105401788) is 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide is Cc1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide?
The InChIKey is SLPPBWWDLGAEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-6-7-10(8-11(9)16)14(15(18)20)19-13-5-3-2-4-12(13)17/h2-8,14,19H,1H3,(H2,18,20).
What are the key properties of 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide?
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide has a molecular weight of 353.65 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide is sourced from PubChem (CID 105401788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).