5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile

C14H7ClFN3 — CID 62492574

IUPAC5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccc(Cl)cc2C#N)ccc1F
InChIInChI=1S/C14H7ClFN3/c15-11-1-4-14(10(5-11)8-18)19-12-2-3-13(16)9(6-12)7-17/h1-6,19H
InChIKeyGHHMWVUCUFTTTQ-UHFFFAOYSA-N
MW271.68 g/mol
LogP3.97
Rot. Bonds2

About 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile

5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile (PubChem CID 62492574) has the molecular formula C14H7ClFN3 and a molecular weight of 271.68 g/mol. Its IUPAC name is 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
PubChem CID62492574
Molecular FormulaC14H7ClFN3
Molecular Weight271.68 g/mol
Exact Mass271.03
IUPAC Name5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccc(Cl)cc2C#N)ccc1F
InChIInChI=1S/C14H7ClFN3/c15-11-1-4-14(10(5-11)8-18)19-12-2-3-13(16)9(6-12)7-17/h1-6,19H
InChIKeyGHHMWVUCUFTTTQ-UHFFFAOYSA-N
XLogP3.97
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
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5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
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5-chloro-2-(4-iodoanilino)benzonitrile
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CID 55078330
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
5-chloro-2-(3-cyanoanilino)benzonitrile
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2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
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2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
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4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile?
The IUPAC name of 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile (CID 62492574) is 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile is N#Cc1cc(Nc2ccc(Cl)cc2C#N)ccc1F.
What is the InChIKey of 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile?
The InChIKey is GHHMWVUCUFTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN3/c15-11-1-4-14(10(5-11)8-18)19-12-2-3-13(16)9(6-12)7-17/h1-6,19H.
What are the key properties of 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile?
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile has a molecular weight of 271.68 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile is sourced from PubChem (CID 62492574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).