2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile

C14H10BrFN2O — CID 107686152

IUPAC2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H
InChIKeyPZSZINLUSLEILB-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.97
Rot. Bonds3

About 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile

2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile (PubChem CID 107686152) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
PubChem CID107686152
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H
InChIKeyPZSZINLUSLEILB-UHFFFAOYSA-N
XLogP3.97
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-{[(4-fluorophenyl)amino]methyl}phenol
CID 2807164
4-Bromo-2-{[(2-fluorophenyl)amino]methyl}phenol
CID 51047292
4-(Anilinomethyl)-2,6-dibromophenol
CID 113224525
2-{[(3-Bromophenyl)amino]methyl}phenol
CID 853655
2-(4-Hydroxyphenyl)-2-(phenylamino)acetonitrile
CID 11401837
4-Bromo-2-{[(3-fluorophenyl)amino]methyl}phenol
CID 2846434
3-[(2-Bromo-4-fluorophenyl)methylamino]phenol
CID 113739149
4-[(4-Fluoroanilino)methyl]phenol
CID 4293184
2-[(4-Bromo-2-fluoroanilino)methyl]phenol
CID 28446562
3-[(4-Bromo-2-fluoroanilino)methyl]phenol
CID 28446633
3-Fluoro-4-[(4-hydroxyphenyl)methylamino]benzonitrile
CID 78997417
3-[(5-Bromo-2-fluoro-phenyl)methylamino]-2,4-difluoro-phenol
CID 89445228

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile (CID 107686152) is 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile is N#CC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The InChIKey is PZSZINLUSLEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H.
What are the key properties of 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile has a molecular weight of 321.15 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 107686152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).