2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide

C19H21BrN2O2 — CID 113178033

IUPAC2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-5-8-18(17(20)9-12)22(15(4)23)11-19(24)21-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyBVLWNQYTHMSKEQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.37
Rot. Bonds4

About 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide

2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113178033) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID113178033
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-5-8-18(17(20)9-12)22(15(4)23)11-19(24)21-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyBVLWNQYTHMSKEQ-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-2-ethylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 113169176
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168721
2-(N-acetyl-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide (CID 113178033) is 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(C)cc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is BVLWNQYTHMSKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-5-8-18(17(20)9-12)22(15(4)23)11-19(24)21-16-7-6-13(2)14(3)10-16/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide?
2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113178033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).