2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide

C14H12BrFN2O2 — CID 107698134

IUPAC2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
SMILESNC(=O)C(Nc1ccccc1Br)c1cc(F)ccc1O
InChIInChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-11(10)18-13(14(17)20)9-7-8(16)5-6-12(9)19/h1-7,13,18-19H,(H2,17,20)
InChIKeyAEKNOMHQYVCDLB-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide

2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide (PubChem CID 107698134) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
PubChem CID107698134
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
SMILESNC(=O)C(Nc1ccccc1Br)c1cc(F)ccc1O
InChIInChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-11(10)18-13(14(17)20)9-7-8(16)5-6-12(9)19/h1-7,13,18-19H,(H2,17,20)
InChIKeyAEKNOMHQYVCDLB-UHFFFAOYSA-N
XLogP2.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromoanilino)-2-(2-bromophenyl)acetamide
CID 54892174
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
2-(2-chloroanilino)-2-(2,4-difluorophenyl)acetamide
CID 61006519
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(2-bromoanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347550
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide (CID 107698134) is 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide is NC(=O)C(Nc1ccccc1Br)c1cc(F)ccc1O.
What is the InChIKey of 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide?
The InChIKey is AEKNOMHQYVCDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-10-3-1-2-4-11(10)18-13(14(17)20)9-7-8(16)5-6-12(9)19/h1-7,13,18-19H,(H2,17,20).
What are the key properties of 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide?
2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide has a molecular weight of 339.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 107698134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).