5-cyano-2-fluorobenzamide;hydrochloride

C8H6ClFN2O — CID 165153570

IUPAC5-cyano-2-fluorobenzamide;hydrochloride
SMILESCl.N#Cc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C8H5FN2O.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,(H2,11,12);1H
InChIKeyRNDMJEKNLNGTJA-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.22
Rot. Bonds1

About 5-cyano-2-fluorobenzamide;hydrochloride

5-cyano-2-fluorobenzamide;hydrochloride (PubChem CID 165153570) has the molecular formula C8H6ClFN2O and a molecular weight of 200.60 g/mol. Its IUPAC name is 5-cyano-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name5-cyano-2-fluorobenzamide;hydrochloride
PubChem CID165153570
Molecular FormulaC8H6ClFN2O
Molecular Weight200.60 g/mol
Exact Mass200.02
IUPAC Name5-cyano-2-fluorobenzamide;hydrochloride
SMILESCl.N#Cc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C8H5FN2O.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,(H2,11,12);1H
InChIKeyRNDMJEKNLNGTJA-UHFFFAOYSA-N
XLogP1.22
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83393087
5-cyano-2,3-difluorobenzamide
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CID 83405153
2-fluoro-5-hydroxybenzamide
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4-cyano-2-fluorobenzoyl fluoride
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2-cyano-3,4-difluorobenzamide
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5-(4-cyanophenyl)-2-fluorobenzoic acid
CID 53225083
2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
CID 107809746
2-(4-cyano-2-fluorophenyl)sulfanylacetamide
CID 130160378
3-cyano-4-fluorobenzamide
CID 68505906
3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octane-3-carbonyl)-4-fluorobenzonitrile
CID 171946742
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluorobenzamide;hydrochloride?
The IUPAC name of 5-cyano-2-fluorobenzamide;hydrochloride (CID 165153570) is 5-cyano-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for 5-cyano-2-fluorobenzamide;hydrochloride?
The canonical SMILES for 5-cyano-2-fluorobenzamide;hydrochloride is Cl.N#Cc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-cyano-2-fluorobenzamide;hydrochloride?
The InChIKey is RNDMJEKNLNGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,(H2,11,12);1H.
What are the key properties of 5-cyano-2-fluorobenzamide;hydrochloride?
5-cyano-2-fluorobenzamide;hydrochloride has a molecular weight of 200.60 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 165153570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).