2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid

C14H10Br2FNO2 — CID 81437594

IUPAC2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10Br2FNO2/c15-9-2-1-3-10(7-9)18-13(14(19)20)8-4-5-11(16)12(17)6-8/h1-7,13,18H,(H,19,20)
InChIKeyOLDPYYFALTUURX-UHFFFAOYSA-N
MW403.05 g/mol
LogP4.59
Rot. Bonds4

About 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid

2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid (PubChem CID 81437594) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
PubChem CID81437594
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10Br2FNO2/c15-9-2-1-3-10(7-9)18-13(14(19)20)8-4-5-11(16)12(17)6-8/h1-7,13,18H,(H,19,20)
InChIKeyOLDPYYFALTUURX-UHFFFAOYSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
CID 54890309
2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid (CID 81437594) is 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid is O=C(O)C(Nc1cccc(Br)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid?
The InChIKey is OLDPYYFALTUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c15-9-2-1-3-10(7-9)18-13(14(19)20)8-4-5-11(16)12(17)6-8/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid?
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid has a molecular weight of 403.05 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid is sourced from PubChem (CID 81437594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).