3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

C19H20Cl3N3O2 — CID 119470635

IUPAC3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.Cl
InChIInChI=1S/C19H19Cl2N3O2.ClH/c1-12-11-22-6-7-24(12)19(26)13-2-4-17(5-3-13)23-18(25)14-8-15(20)10-16(21)9-14;/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,23,25);1H
InChIKeyLQBMGBKFQLYMCU-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.10
Rot. Bonds3

About 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride

3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119470635) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119470635
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.Cl
InChIInChI=1S/C19H19Cl2N3O2.ClH/c1-12-11-22-6-7-24(12)19(26)13-2-4-17(5-3-13)23-18(25)14-8-15(20)10-16(21)9-14;/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,23,25);1H
InChIKeyLQBMGBKFQLYMCU-UHFFFAOYSA-N
XLogP4.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
1-cyclobutyl-3-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]urea;hydrochloride
CID 66878377
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119470635) is 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is CC1CNCCN1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is LQBMGBKFQLYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2.ClH/c1-12-11-22-6-7-24(12)19(26)13-2-4-17(5-3-13)23-18(25)14-8-15(20)10-16(21)9-14;/h2-5,8-10,12,22H,6-7,11H2,1H3,(H,23,25);1H.
What are the key properties of 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 428.75 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119470635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).