2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid

C10H9BrFNO3 — CID 63701357

IUPAC2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO3/c1-5(14)13-9(10(15)16)7-3-2-6(11)4-8(7)12/h2-4,9H,1H3,(H,13,14)(H,15,16)
InChIKeyRCTIOBDHKAXJTD-UHFFFAOYSA-N
MW290.09 g/mol
LogP1.85
Rot. Bonds3

About 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid

2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid (PubChem CID 63701357) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
PubChem CID63701357
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFNO3/c1-5(14)13-9(10(15)16)7-3-2-6(11)4-8(7)12/h2-4,9H,1H3,(H,13,14)(H,15,16)
InChIKeyRCTIOBDHKAXJTD-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-[1-(4-bromo-2-fluorophenyl)ethylamino]pentanoic acid
CID 82973499
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 67223969
2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
CID 62226447
CID 157438147
CID 157438147
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-acetamido-3-(5-bromo-2-fluoroanilino)propanoic acid
CID 64582664
3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398266
N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]prop-2-enamide
CID 166408340
methyl 2-(4-bromo-2-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 62352935
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid?
The IUPAC name of 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid (CID 63701357) is 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid is CC(=O)NC(C(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid?
The InChIKey is RCTIOBDHKAXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-5(14)13-9(10(15)16)7-3-2-6(11)4-8(7)12/h2-4,9H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid?
2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid has a molecular weight of 290.09 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid is sourced from PubChem (CID 63701357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).