2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile

C15H12BrFN2 — CID 54886867

IUPAC2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFN2/c16-12-6-7-14(17)13(8-12)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,10H2
InChIKeyFAMCQNKRVYGSMV-UHFFFAOYSA-N
MW319.18 g/mol
LogP3.94
Rot. Bonds4

About 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile

2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile (PubChem CID 54886867) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
PubChem CID54886867
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFN2/c16-12-6-7-14(17)13(8-12)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,10H2
InChIKeyFAMCQNKRVYGSMV-UHFFFAOYSA-N
XLogP3.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693
2-(4-bromo-2-fluorophenyl)-2-(propylamino)acetonitrile
CID 43364620
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile (CID 54886867) is 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile is N#CC(NCc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile?
The InChIKey is FAMCQNKRVYGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c16-12-6-7-14(17)13(8-12)15(9-18)19-10-11-4-2-1-3-5-11/h1-8,15,19H,10H2.
What are the key properties of 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile?
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile has a molecular weight of 319.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile is sourced from PubChem (CID 54886867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).