3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C21H23ClN2O4 — CID 26905325

IUPAC3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-13-14(12-16(22)19(18)28-2)20(25)23-17-9-5-4-8-15(17)21(26)24-10-6-3-7-11-24/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyHIPUTUJRTVMUOY-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.24
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26905325) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26905325
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-27-18-13-14(12-16(22)19(18)28-2)20(25)23-17-9-5-4-8-15(17)21(26)24-10-6-3-7-11-24/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyHIPUTUJRTVMUOY-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 42944718
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 26905325) is 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is HIPUTUJRTVMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-18-13-14(12-16(22)19(18)28-2)20(25)23-17-9-5-4-8-15(17)21(26)24-10-6-3-7-11-24/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,23,25).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 402.88 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26905325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).