2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide

C19H21BrN2O2 — CID 113178005

IUPAC2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-13-5-4-6-16(9-13)11-21-19(24)12-22(15(3)23)18-8-7-14(2)10-17(18)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyNUMKMHKHVZFGKO-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.74
Rot. Bonds5

About 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113178005) 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-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113178005
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-13-5-4-6-16(9-13)11-21-19(24)12-22(15(3)23)18-8-7-14(2)10-17(18)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyNUMKMHKHVZFGKO-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-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
2-(N-acetyl-2-propan-2-yloxyanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113174218
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
N'-(2-bromo-4-methylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945667
2-(N-acetyl-2-bromo-4-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178033
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 113178005) is 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1cccc(C)c1)c1ccc(C)cc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is NUMKMHKHVZFGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-5-4-6-16(9-13)11-21-19(24)12-22(15(3)23)18-8-7-14(2)10-17(18)20/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(N-acetyl-2-bromo-4-methylanilino)-N-[(3-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-2-bromo-4-methylanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113178005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).