2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride

C22H21Cl2F3N4O — CID 164618864

IUPAC2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
SMILESCl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C22H20ClF3N4O.ClH/c1-30-20(5-7-28-30)13-8-15(23)21(18(26)10-13)22(31)29-19-11-27-6-4-14(19)12-2-3-16(24)17(25)9-12;/h2-3,5,7-10,14,19,27H,4,6,11H2,1H3,(H,29,31);1H/t14-,19+;/m0./s1
InChIKeyFUESNOYBNRCUNO-OWRLQCHVSA-N
MW485.34 g/mol
LogP4.46
Rot. Bonds4

About 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride

2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride (PubChem CID 164618864) has the molecular formula C22H21Cl2F3N4O and a molecular weight of 485.34 g/mol. Its IUPAC name is 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
PubChem CID164618864
Molecular FormulaC22H21Cl2F3N4O
Molecular Weight485.34 g/mol
Exact Mass484.10
IUPAC Name2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
SMILESCl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C22H20ClF3N4O.ClH/c1-30-20(5-7-28-30)13-8-15(23)21(18(26)10-13)22(31)29-19-11-27-6-4-14(19)12-2-3-16(24)17(25)9-12;/h2-3,5,7-10,14,19,27H,4,6,11H2,1H3,(H,29,31);1H/t14-,19+;/m0./s1
InChIKeyFUESNOYBNRCUNO-OWRLQCHVSA-N
XLogP4.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;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-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
CID 155557232
CID 155557232
N-[4-[(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide
CID 52937777
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-chloro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995078
(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285729
(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118286047
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 118408899
4-[1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methylamino]-1-oxopropan-2-yl]-N-(4-fluorophenyl)benzamide
CID 66644132
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118045229
N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118045231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride (CID 164618864) is 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride is Cl.Cn1nccc1-c1cc(F)c(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride?
The InChIKey is FUESNOYBNRCUNO-OWRLQCHVSA-N. The full InChI is InChI=1S/C22H20ClF3N4O.ClH/c1-30-20(5-7-28-30)13-8-15(23)21(18(26)10-13)22(31)29-19-11-27-6-4-14(19)12-2-3-16(24)17(25)9-12;/h2-3,5,7-10,14,19,27H,4,6,11H2,1H3,(H,29,31);1H/t14-,19+;/m0./s1.
What are the key properties of 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride?
2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride has a molecular weight of 485.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-6-fluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 164618864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).