4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide

C21H25ClN2O — CID 20560119

IUPAC4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
SMILESCN1CCCCC1CCc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-24-15-5-4-7-19(24)14-11-16-6-2-3-8-20(16)23-21(25)17-9-12-18(22)13-10-17/h2-3,6,8-10,12-13,19H,4-5,7,11,14-15H2,1H3,(H,23,25)
InChIKeyKCJZJJIUICPTNI-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.01
Rot. Bonds5

About 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide

4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide (PubChem CID 20560119) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
PubChem CID20560119
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
SMILESCN1CCCCC1CCc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-24-15-5-4-7-19(24)14-11-16-6-2-3-8-20(16)23-21(25)17-9-12-18(22)13-10-17/h2-3,6,8-10,12-13,19H,4-5,7,11,14-15H2,1H3,(H,23,25)
InChIKeyKCJZJJIUICPTNI-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-benzamido-3-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] acetate
CID 20560025
1-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]-3-phenylthiourea
CID 13193105
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
4-methoxy-N-[2-[1-(1-methylpiperidin-2-yl)propan-2-yl]phenyl]benzamide
CID 20560090
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenol
CID 153351940
N-[2-[2-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl]phenyl]-4-methoxybenzamide iodide
CID 12831928
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
4-chloro-N-[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]phenyl]benzamide
CID 96567970
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide (CID 20560119) is 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide is CN1CCCCC1CCc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide?
The InChIKey is KCJZJJIUICPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-24-15-5-4-7-19(24)14-11-16-6-2-3-8-20(16)23-21(25)17-9-12-18(22)13-10-17/h2-3,6,8-10,12-13,19H,4-5,7,11,14-15H2,1H3,(H,23,25).
What are the key properties of 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide?
4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide has a molecular weight of 356.90 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 20560119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).