5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile

C13H7Cl2FN2 — CID 107366251

IUPAC5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H7Cl2FN2/c14-9-1-2-13(8(3-9)7-17)18-12-5-10(15)4-11(16)6-12/h1-6,18H
InChIKeyMDPBMBAXDQCGTA-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.75
Rot. Bonds2

About 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile

5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile (PubChem CID 107366251) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
PubChem CID107366251
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H7Cl2FN2/c14-9-1-2-13(8(3-9)7-17)18-12-5-10(15)4-11(16)6-12/h1-6,18H
InChIKeyMDPBMBAXDQCGTA-UHFFFAOYSA-N
XLogP4.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107574674
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
5-chloro-2-(4-iodoanilino)benzonitrile
CID 63510924
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile?
The IUPAC name of 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile (CID 107366251) is 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile?
The canonical SMILES for 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile is N#Cc1cc(Cl)ccc1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile?
The InChIKey is MDPBMBAXDQCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-9-1-2-13(8(3-9)7-17)18-12-5-10(15)4-11(16)6-12/h1-6,18H.
What are the key properties of 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile?
5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile is sourced from PubChem (CID 107366251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).