ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate

C17H18BrNO2 — CID 60993848

IUPACethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C17H18BrNO2/c1-3-21-17(20)16(15-7-5-4-6-12(15)2)19-14-10-8-13(18)9-11-14/h4-11,16,19H,3H2,1-2H3
InChIKeyKWCYGYUDLGQSNE-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds5

About ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate

ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate (PubChem CID 60993848) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
PubChem CID60993848
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Nameethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C17H18BrNO2/c1-3-21-17(20)16(15-7-5-4-6-12(15)2)19-14-10-8-13(18)9-11-14/h4-11,16,19H,3H2,1-2H3
InChIKeyKWCYGYUDLGQSNE-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-(4-bromoanilino)-3-methylpentanoate
CID 61319158
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
CID 134940254
ethyl (2R)-2-(4-bromoanilino)-4-phenylbut-3-ynoate
CID 154718066
ethyl 2-[anilino-(4-bromophenyl)methyl]prop-2-enoate
CID 123595092
ethyl 3-(4-bromophenyl)-2-cyano-3-(2-methylphenyl)propanoate
CID 67015643
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate?
The IUPAC name of ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate (CID 60993848) is ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate is CCOC(=O)C(Nc1ccc(Br)cc1)c1ccccc1C.
What is the InChIKey of ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate?
The InChIKey is KWCYGYUDLGQSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-21-17(20)16(15-7-5-4-6-12(15)2)19-14-10-8-13(18)9-11-14/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate?
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate has a molecular weight of 348.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate is sourced from PubChem (CID 60993848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).