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

C21H23ClN2O3 — CID 100774361

IUPAC3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-2-27-19-11-10-15(14-17(19)22)20(25)23-18-9-5-4-8-16(18)21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,25)
InChIKeyMSVHHQJTJQCANL-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.62
Rot. Bonds5

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

3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 100774361) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID100774361
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-2-27-19-11-10-15(14-17(19)22)20(25)23-18-9-5-4-8-16(18)21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,25)
InChIKeyMSVHHQJTJQCANL-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 35327584
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926917

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 100774361) is 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is MSVHHQJTJQCANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-2-27-19-11-10-15(14-17(19)22)20(25)23-18-9-5-4-8-16(18)21(26)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,25).
What are the key properties of 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 100774361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).