2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide

C19H21BrN2O2 — CID 113178082

IUPAC2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-6-4-5-7-16(13)11-21-19(24)12-22(15(3)23)18-9-8-17(20)10-14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyPAVQJBWSZDOTLQ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.74
Rot. Bonds5

About 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113178082) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113178082
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-6-4-5-7-16(13)11-21-19(24)12-22(15(3)23)18-9-8-17(20)10-14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyPAVQJBWSZDOTLQ-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 8539857
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178126
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113180428
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
CID 113062870
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 113178082) is 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(Br)cc1C.
What is the InChIKey of 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is PAVQJBWSZDOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-6-4-5-7-16(13)11-21-19(24)12-22(15(3)23)18-9-8-17(20)10-14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113178082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).