2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile

C14H9Br2FN2 — CID 107533306

IUPAC2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCc2cccc(Br)c2)c(F)c1Br
InChIInChI=1S/C14H9Br2FN2/c15-11-3-1-2-9(6-11)8-19-12-5-4-10(7-18)13(16)14(12)17/h1-6,19H,8H2
InChIKeyHDBPLBQNFXUPGC-UHFFFAOYSA-N
MW384.05 g/mol
LogP4.83
Rot. Bonds3

About 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile

2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile (PubChem CID 107533306) has the molecular formula C14H9Br2FN2 and a molecular weight of 384.05 g/mol. Its IUPAC name is 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile
PubChem CID107533306
Molecular FormulaC14H9Br2FN2
Molecular Weight384.05 g/mol
Exact Mass381.91
IUPAC Name2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(NCc2cccc(Br)c2)c(F)c1Br
InChIInChI=1S/C14H9Br2FN2/c15-11-3-1-2-9(6-11)8-19-12-5-4-10(7-18)13(16)14(12)17/h1-6,19H,8H2
InChIKeyHDBPLBQNFXUPGC-UHFFFAOYSA-N
XLogP4.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.05
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-fluoro-4-(pyridin-3-ylmethylamino)benzonitrile
CID 107533169
2-bromo-4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-3-fluorobenzonitrile
CID 107537786
2-bromo-3-fluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 107533643
2-[(3-bromophenyl)methylamino]-5-nitrobenzonitrile
CID 24903082
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
2-(benzylamino)-4-bromobenzonitrile
CID 24903092
4-[(3-bromophenyl)methylamino]-3,5-difluorobenzonitrile
CID 78988328
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
CID 107533046
2-(3-bromo-4-cyano-2-fluoroanilino)acetic acid
CID 107532791
4-(3-aminopropylamino)-2-bromo-3-fluorobenzonitrile
CID 107535774
4-[(3-bromophenyl)methylamino]-3-methoxybenzonitrile
CID 104843641
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]benzonitrile
CID 60792859

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile (CID 107533306) is 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile is N#Cc1ccc(NCc2cccc(Br)c2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile?
The InChIKey is HDBPLBQNFXUPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2/c15-11-3-1-2-9(6-11)8-19-12-5-4-10(7-18)13(16)14(12)17/h1-6,19H,8H2.
What are the key properties of 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile?
2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile has a molecular weight of 384.05 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-bromophenyl)methylamino]-3-fluorobenzonitrile is sourced from PubChem (CID 107533306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).