2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile

C14H10BrFN2 — CID 54887451

IUPAC2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H
InChIKeyYWXPJLQVEKQLDN-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile

2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile (PubChem CID 54887451) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
PubChem CID54887451
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H
InChIKeyYWXPJLQVEKQLDN-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetonitrile
CID 81436975
2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
3-[(2-bromoanilino)-cyanomethyl]benzonitrile
CID 54886944
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(2-bromoanilino)-2-(3-propoxyphenyl)acetonitrile
CID 62496139
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
2-(2-bromoanilino)-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
CID 61006456
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 113457122
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
2-(2-bromoanilino)-2-[2-(trifluoromethyl)phenyl]acetonitrile
CID 61005001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile?
The IUPAC name of 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile (CID 54887451) is 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile is N#CC(Nc1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile?
The InChIKey is YWXPJLQVEKQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-12-6-1-2-7-13(12)18-14(9-17)10-4-3-5-11(16)8-10/h1-8,14,18H.
What are the key properties of 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile?
2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile has a molecular weight of 305.15 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile is sourced from PubChem (CID 54887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).