3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide

C20H23ClN2O3 — CID 26520153

IUPAC3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-14(12-15(21)19(18)26-2)20(24)22-16-8-4-5-9-17(16)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyUTYBAIMGJWMZHS-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.60
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide

3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 26520153) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID26520153
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-18-13-14(12-15(21)19(18)26-2)20(24)22-16-8-4-5-9-17(16)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyUTYBAIMGJWMZHS-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
CID 24614219
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide (CID 26520153) is 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is UTYBAIMGJWMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-18-13-14(12-15(21)19(18)26-2)20(24)22-16-8-4-5-9-17(16)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.60, 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-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 26520153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).