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

C19H24Cl3N3O — CID 66938863

IUPAC2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccccc3Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C19H22ClN3O.2ClH/c1-23-11-9-14(10-12-23)21-15-5-4-6-16(13-15)22-19(24)17-7-2-3-8-18(17)20;;/h2-8,13-14,21H,9-12H2,1H3,(H,22,24);2*1H
InChIKeyHWQLTOWEBUPDKA-UHFFFAOYSA-N
MW416.78 g/mol
LogP4.94
Rot. Bonds4

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

2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (PubChem CID 66938863) has the molecular formula C19H24Cl3N3O and a molecular weight of 416.78 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
PubChem CID66938863
Molecular FormulaC19H24Cl3N3O
Molecular Weight416.78 g/mol
Exact Mass415.10
IUPAC Name2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccccc3Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C19H22ClN3O.2ClH/c1-23-11-9-14(10-12-23)21-15-5-4-6-16(13-15)22-19(24)17-7-2-3-8-18(17)20;;/h2-8,13-14,21H,9-12H2,1H3,(H,22,24);2*1H
InChIKeyHWQLTOWEBUPDKA-UHFFFAOYSA-N
XLogP4.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.78
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
CID 87211381
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (CID 66938863) is 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is CN1CCC(Nc2cccc(NC(=O)c3ccccc3Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The InChIKey is HWQLTOWEBUPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.2ClH/c1-23-11-9-14(10-12-23)21-15-5-4-6-16(13-15)22-19(24)17-7-2-3-8-18(17)20;;/h2-8,13-14,21H,9-12H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride has a molecular weight of 416.78 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 66938863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).