N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide

C23H27ClN2O2 — CID 109055680

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O2/c1-2-21-8-3-4-15-26(21)23(28)19-7-5-6-18(16-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,25,27)
InChIKeyZCIQFFANMJFNIU-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.72
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide (PubChem CID 109055680) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
PubChem CID109055680
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H27ClN2O2/c1-2-21-8-3-4-15-26(21)23(28)19-7-5-6-18(16-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,25,27)
InChIKeyZCIQFFANMJFNIU-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108985796
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide (CID 109055680) is N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide is CCC1CCCCN1C(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The InChIKey is ZCIQFFANMJFNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-2-21-8-3-4-15-26(21)23(28)19-7-5-6-18(16-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide has a molecular weight of 398.93 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109055680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).