2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide

C18H19BrN2O2 — CID 112996813

IUPAC2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
SMILESCCc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-13-5-9-16(10-6-13)21-18(23)12-20-17(22)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPOYNWZBFLHFXPV-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide (PubChem CID 112996813) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
PubChem CID112996813
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
SMILESCCc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-13-5-9-16(10-6-13)21-18(23)12-20-17(22)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPOYNWZBFLHFXPV-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide (CID 112996813) is 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide is CCc1ccc(NC(=O)CNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide?
The InChIKey is POYNWZBFLHFXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-2-13-5-9-16(10-6-13)21-18(23)12-20-17(22)11-14-3-7-15(19)8-4-14/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112996813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).