ethyl 2-anilino-2-(4-bromophenyl)acetate

C16H16BrNO2 — CID 60992186

IUPACethyl 2-anilino-2-(4-bromophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2H2,1H3
InChIKeyUXZZXPMKVUQINB-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.17
Rot. Bonds5

About ethyl 2-anilino-2-(4-bromophenyl)acetate

ethyl 2-anilino-2-(4-bromophenyl)acetate (PubChem CID 60992186) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is ethyl 2-anilino-2-(4-bromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(4-bromophenyl)acetate
PubChem CID60992186
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Nameethyl 2-anilino-2-(4-bromophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2H2,1H3
InChIKeyUXZZXPMKVUQINB-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[anilino-(4-bromophenyl)methyl]prop-2-enoate
CID 123595092
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl (2S)-2-anilino-2-(4-cyanophenyl)acetate
CID 86338761
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
CID 60993848
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(2,5-dibromoanilino)-2-phenylacetate
CID 106677188
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl 2-[(R)-anilino(phenyl)methyl]prop-2-enoate
CID 102132707
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(4-bromophenyl)-3-ethoxy-3-oxopropanoic acid
CID 23372308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(4-bromophenyl)acetate?
The IUPAC name of ethyl 2-anilino-2-(4-bromophenyl)acetate (CID 60992186) is ethyl 2-anilino-2-(4-bromophenyl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(4-bromophenyl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(4-bromophenyl)acetate is CCOC(=O)C(Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-anilino-2-(4-bromophenyl)acetate?
The InChIKey is UXZZXPMKVUQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2H2,1H3.
What are the key properties of ethyl 2-anilino-2-(4-bromophenyl)acetate?
ethyl 2-anilino-2-(4-bromophenyl)acetate has a molecular weight of 334.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(4-bromophenyl)acetate is sourced from PubChem (CID 60992186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).