2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile

C14H9BrF2N2 — CID 55234730

IUPAC2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2N2/c15-9-3-1-4-10(7-9)19-13(8-18)11-5-2-6-12(16)14(11)17/h1-7,13,19H
InChIKeyHFOCSPAGCBPNDV-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.40
Rot. Bonds3

About 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile

2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile (PubChem CID 55234730) has the molecular formula C14H9BrF2N2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
PubChem CID55234730
Molecular FormulaC14H9BrF2N2
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile
SMILESN#CC(Nc1cccc(Br)c1)c1cccc(F)c1F
InChIInChI=1S/C14H9BrF2N2/c15-9-3-1-4-10(7-9)19-13(8-18)11-5-2-6-12(16)14(11)17/h1-7,13,19H
InChIKeyHFOCSPAGCBPNDV-UHFFFAOYSA-N
XLogP4.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
2-(3-bromoanilino)-2-[4-(difluoromethyl)phenyl]acetonitrile
CID 115524433
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-[cyano-(3-fluoroanilino)methyl]benzonitrile
CID 107936311
2-(3-bromoanilino)-2-(3,4-dimethoxyphenyl)acetonitrile
CID 60990260
2-(2,3-difluorophenyl)-2-(ethylamino)acetonitrile
CID 63668597
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile?
The IUPAC name of 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile (CID 55234730) is 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile is N#CC(Nc1cccc(Br)c1)c1cccc(F)c1F.
What is the InChIKey of 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile?
The InChIKey is HFOCSPAGCBPNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2/c15-9-3-1-4-10(7-9)19-13(8-18)11-5-2-6-12(16)14(11)17/h1-7,13,19H.
What are the key properties of 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile?
2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile has a molecular weight of 323.14 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2,3-difluorophenyl)acetonitrile is sourced from PubChem (CID 55234730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).