2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide

C19H21BrN2O2 — CID 112997204

IUPAC2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)12-21-18(23)11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTTBBVIGULLXIR-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.87
Rot. Bonds6

About 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide

2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide (PubChem CID 112997204) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
PubChem CID112997204
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)12-21-18(23)11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySTTBBVIGULLXIR-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
1-[4-(1-aminoethyl)phenyl]-3-[(2-bromophenyl)methyl]urea
CID 61414161
2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 18272438
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide (CID 112997204) is 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide is CC(C)c1ccc(NC(=O)CNC(=O)Cc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide?
The InChIKey is STTBBVIGULLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)12-21-18(23)11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide?
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide is sourced from PubChem (CID 112997204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).