2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid

C16H16BrNO3 — CID 60992710

IUPAC2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
SMILESCCOc1ccccc1C(Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C16H16BrNO3/c1-2-21-14-9-4-3-8-13(14)15(16(19)20)18-12-7-5-6-11(17)10-12/h3-10,15,18H,2H2,1H3,(H,19,20)
InChIKeyDMBHXMUYXKPIMU-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.09
Rot. Bonds6

About 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid

2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid (PubChem CID 60992710) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
PubChem CID60992710
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
SMILESCCOc1ccccc1C(Nc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C16H16BrNO3/c1-2-21-14-9-4-3-8-13(14)15(16(19)20)18-12-7-5-6-11(17)10-12/h3-10,15,18H,2H2,1H3,(H,19,20)
InChIKeyDMBHXMUYXKPIMU-UHFFFAOYSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 60992175
ethyl (3R)-3-(3-bromoanilino)butanoate
CID 101375260

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid (CID 60992710) is 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid is CCOc1ccccc1C(Nc1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid?
The InChIKey is DMBHXMUYXKPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-2-21-14-9-4-3-8-13(14)15(16(19)20)18-12-7-5-6-11(17)10-12/h3-10,15,18H,2H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid?
2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid has a molecular weight of 350.21 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid is sourced from PubChem (CID 60992710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).