2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

C20H25Cl3FN3O — CID 66939187

IUPAC2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(N(C)c2cccc(NC(=O)c3c(F)cccc3Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C20H23ClFN3O.2ClH/c1-24-11-9-15(10-12-24)25(2)16-6-3-5-14(13-16)23-20(26)19-17(21)7-4-8-18(19)22;;/h3-8,13,15H,9-12H2,1-2H3,(H,23,26);2*1H
InChIKeyFIJIHSQZJNKODA-UHFFFAOYSA-N
MW448.80 g/mol
LogP5.11
Rot. Bonds4

About 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (PubChem CID 66939187) has the molecular formula C20H25Cl3FN3O and a molecular weight of 448.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
PubChem CID66939187
Molecular FormulaC20H25Cl3FN3O
Molecular Weight448.80 g/mol
Exact Mass447.10
IUPAC Name2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(N(C)c2cccc(NC(=O)c3c(F)cccc3Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C20H23ClFN3O.2ClH/c1-24-11-9-15(10-12-24)25(2)16-6-3-5-14(13-16)23-20(26)19-17(21)7-4-8-18(19)22;;/h3-8,13,15H,9-12H2,1-2H3,(H,23,26);2*1H
InChIKeyFIJIHSQZJNKODA-UHFFFAOYSA-N
XLogP5.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.80
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride 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

2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2,4-difluoro-6-hydroxy-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 71883384
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-6-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943105
2-chloro-6-fluoro-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 18571527
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
3-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55101334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (CID 66939187) is 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is CN1CCC(N(C)c2cccc(NC(=O)c3c(F)cccc3Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The InChIKey is FIJIHSQZJNKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O.2ClH/c1-24-11-9-15(10-12-24)25(2)16-6-3-5-14(13-16)23-20(26)19-17(21)7-4-8-18(19)22;;/h3-8,13,15H,9-12H2,1-2H3,(H,23,26);2*1H.
What are the key properties of 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride has a molecular weight of 448.80 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 66939187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).