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

C19H20ClN3O2 — CID 119576131

IUPAC4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCC1CN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H20ClN3O2/c1-13-12-23(11-10-21-13)19(25)16-4-2-3-5-17(16)22-18(24)14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3,(H,22,24)
InChIKeyVHCHKQOKHYLSMK-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.03
Rot. Bonds3

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

4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 119576131) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID119576131
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCC1CN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C19H20ClN3O2/c1-13-12-23(11-10-21-13)19(25)16-4-2-3-5-17(16)22-18(24)14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3,(H,22,24)
InChIKeyVHCHKQOKHYLSMK-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
2,2-dimethyl-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119580181
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119579861
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119580097
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 119576131) is 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide is CC1CN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is VHCHKQOKHYLSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-12-23(11-10-21-13)19(25)16-4-2-3-5-17(16)22-18(24)14-6-8-15(20)9-7-14/h2-9,13,21H,10-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 357.84 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119576131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).