2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride

C19H22Cl3N3O — CID 11338980

IUPAC2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1.Cl
InChIInChI=1S/C19H21Cl2N3O.ClH/c1-24-10-8-13(9-11-24)22-14-4-2-5-15(12-14)23-19(25)18-16(20)6-3-7-17(18)21;/h2-7,12-13,22H,8-11H2,1H3,(H,23,25);1H
InChIKeyKPHULVCKAVMMHV-UHFFFAOYSA-N
MW414.76 g/mol
LogP5.17
Rot. Bonds4

About 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride

2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride (PubChem CID 11338980) has the molecular formula C19H22Cl3N3O and a molecular weight of 414.76 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
PubChem CID11338980
Molecular FormulaC19H22Cl3N3O
Molecular Weight414.76 g/mol
Exact Mass413.08
IUPAC Name2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1.Cl
InChIInChI=1S/C19H21Cl2N3O.ClH/c1-24-10-8-13(9-11-24)22-14-4-2-5-15(12-14)23-19(25)18-16(20)6-3-7-17(18)21;/h2-7,12-13,22H,8-11H2,1H3,(H,23,25);1H
InChIKeyKPHULVCKAVMMHV-UHFFFAOYSA-N
XLogP5.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
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-6-fluoro-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66939187
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
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
CID 87211381
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride?
The IUPAC name of 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride (CID 11338980) is 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride is CN1CCC(Nc2cccc(NC(=O)c3c(Cl)cccc3Cl)c2)CC1.Cl.
What is the InChIKey of 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride?
The InChIKey is KPHULVCKAVMMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O.ClH/c1-24-10-8-13(9-11-24)22-14-4-2-5-15(12-14)23-19(25)18-16(20)6-3-7-17(18)21;/h2-7,12-13,22H,8-11H2,1H3,(H,23,25);1H.
What are the key properties of 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride?
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride has a molecular weight of 414.76 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 11338980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).