2-(4-bromoanilino)acetic acid

C8H8BrNO2 — CID 6917281

IUPAC2-(4-bromoanilino)acetic acid
SMILESO=C(O)CNc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyPEWAAAOJNYRFMW-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-bromoanilino)acetic acid

2-(4-bromoanilino)acetic acid (PubChem CID 6917281) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-(4-bromoanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromoanilino)acetic acid
PubChem CID6917281
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-(4-bromoanilino)acetic acid
SMILESO=C(O)CNc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyPEWAAAOJNYRFMW-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
2-anilinoacetic acid;hydrazine
CID 67393863
2-(4-formylanilino)acetic acid
CID 21163243
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-(4-isocyanoanilino)acetic acid
CID 59288116
2-(4-ethynylanilino)acetic acid
CID 165458363
2-anilinoacetic acid;formic acid
CID 174518720
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)acetic acid?
The IUPAC name of 2-(4-bromoanilino)acetic acid (CID 6917281) is 2-(4-bromoanilino)acetic acid.
What is the SMILES notation for 2-(4-bromoanilino)acetic acid?
The canonical SMILES for 2-(4-bromoanilino)acetic acid is O=C(O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)acetic acid?
The InChIKey is PEWAAAOJNYRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-(4-bromoanilino)acetic acid?
2-(4-bromoanilino)acetic acid has a molecular weight of 230.06 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)acetic acid is sourced from PubChem (CID 6917281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).