2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide

C17H16BrClN2O2 — CID 113177953

IUPAC2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-11-15(19)7-4-8-16(11)20-17(23)10-21(12(2)22)14-6-3-5-13(18)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyNBSNOYNOVCXGRI-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.40
Rot. Bonds4

About 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide

2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113177953) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113177953
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c1-11-15(19)7-4-8-16(11)20-17(23)10-21(12(2)22)14-6-3-5-13(18)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyNBSNOYNOVCXGRI-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-3-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113177955
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
2-(N-acetyl-3,4-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416
2-(N-acetyl-2-fluoroanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113170822
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide (CID 113177953) is 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Br)c1.
What is the InChIKey of 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is NBSNOYNOVCXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-15(19)7-4-8-16(11)20-17(23)10-21(12(2)22)14-6-3-5-13(18)9-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide?
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 395.68 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113177953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).