3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride

C19H19Cl2FN4O — CID 69245072

IUPAC3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
SMILESCl.N#Cc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H18ClFN4O.ClH/c20-16-10-13(1-6-17(16)21)19(26)25-15-4-2-14(3-5-15)24-18-9-12(11-22)7-8-23-18;/h1,6-10,14-15H,2-5H2,(H,23,24)(H,25,26);1H
InChIKeyBXEQZKNLJGFEEH-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.32
Rot. Bonds4

About 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride

3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride (PubChem CID 69245072) has the molecular formula C19H19Cl2FN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
PubChem CID69245072
Molecular FormulaC19H19Cl2FN4O
Molecular Weight409.29 g/mol
Exact Mass408.09
IUPAC Name3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
SMILESCl.N#Cc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H18ClFN4O.ClH/c20-16-10-13(1-6-17(16)21)19(26)25-15-4-2-14(3-5-15)24-18-9-12(11-22)7-8-23-18;/h1,6-10,14-15H,2-5H2,(H,23,24)(H,25,26);1H
InChIKeyBXEQZKNLJGFEEH-UHFFFAOYSA-N
XLogP4.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-N-[4-[(4-methyl-2-pyridinyl)amino]cyclohexyl]benzamide;hydrochloride
CID 69245118
3-chloro-4-fluoro-N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 68978342
3-chloro-N-[4-[[6-(dimethylamino)-2,5-dimethylpyrimidin-4-yl]amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
CID 68977060
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
3-chloro-4-fluoro-N-[4-[[5-methyl-4-[methyl(2-phenylethyl)amino]-2-pyridinyl]amino]cyclohexyl]benzamide;hydrochloride
CID 69241461
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride (CID 69245072) is 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride is Cl.N#Cc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1.
What is the InChIKey of 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is BXEQZKNLJGFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O.ClH/c20-16-10-13(1-6-17(16)21)19(26)25-15-4-2-14(3-5-15)24-18-9-12(11-22)7-8-23-18;/h1,6-10,14-15H,2-5H2,(H,23,24)(H,25,26);1H.
What are the key properties of 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride?
3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 409.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 69245072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).