2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C19H20ClN3O2 — CID 26157840

IUPAC2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyCYMBPLWGKRZCLM-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 26157840) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID26157840
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyCYMBPLWGKRZCLM-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 26157792
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
2-methoxy-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26158648
(E)-3-(2-chlorophenyl)-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26158644
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
2-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 45265924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 26157840) is 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is CN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is CYMBPLWGKRZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-22-9-11-23(12-10-22)19(25)14-5-4-6-15(13-14)21-18(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 357.84 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26157840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).