4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile

C14H10BrFN2 — CID 115367079

IUPAC4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)cc2)cc1F
InChIInChI=1S/C14H10BrFN2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7,18H,9H2
InChIKeyPOMVOFQXDWETCE-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.07
Rot. Bonds3

About 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile

4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile (PubChem CID 115367079) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile
PubChem CID115367079
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)cc2)cc1F
InChIInChI=1S/C14H10BrFN2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7,18H,9H2
InChIKeyPOMVOFQXDWETCE-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 113295715
4-[(4-bromo-3-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788315
4-[(3-bromo-4-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788476
4-[(4-bromo-2-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788521
5-[(4-bromoanilino)methyl]-2-methoxybenzonitrile
CID 65336149
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
2-fluoro-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 115367213
4-[(3-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787837
4-[(3,4-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106786892
5-[(3-bromo-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 103756678
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 66473027
2-bromo-4-[(4-nitrophenyl)methylamino]benzonitrile
CID 107280296

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile?
The IUPAC name of 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile (CID 115367079) is 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile is N#Cc1ccc(NCc2ccc(Br)cc2)cc1F.
What is the InChIKey of 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile?
The InChIKey is POMVOFQXDWETCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7,18H,9H2.
What are the key properties of 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile?
4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile has a molecular weight of 305.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 115367079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).