4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile

C13H7BrClFN2 — CID 63511832

IUPAC4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C13H7BrClFN2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,18H
InChIKeyDLQCLKRRYLYWBU-UHFFFAOYSA-N
MW325.57 g/mol
LogP4.86
Rot. Bonds2

About 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile

4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile (PubChem CID 63511832) has the molecular formula C13H7BrClFN2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile
PubChem CID63511832
Molecular FormulaC13H7BrClFN2
Molecular Weight325.57 g/mol
Exact Mass323.95
IUPAC Name4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cc(Br)ccc2Cl)c(F)c1
InChIInChI=1S/C13H7BrClFN2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,18H
InChIKeyDLQCLKRRYLYWBU-UHFFFAOYSA-N
XLogP4.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-5-iodoanilino)-3-fluorobenzonitrile
CID 114260128
4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
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4-amino-3-(4-bromo-2-fluoroanilino)benzonitrile
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3-[(5-bromo-2-chloroanilino)methyl]-4-fluorobenzonitrile
CID 62914878
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
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3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
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3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
4-(2-bromo-4-fluoroanilino)-3-chlorobenzonitrile
CID 63510761
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CID 107037788

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile?
The IUPAC name of 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile (CID 63511832) is 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2cc(Br)ccc2Cl)c(F)c1.
What is the InChIKey of 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile?
The InChIKey is DLQCLKRRYLYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,18H.
What are the key properties of 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile?
4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile has a molecular weight of 325.57 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chloroanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 63511832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).