3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C26H25ClN2O3 — CID 100750028

IUPAC3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C26H25ClN2O3/c27-24-10-3-2-7-21(24)18-32-23-9-6-8-20(17-23)25(30)28-22-13-11-19(12-14-22)26(31)29-15-4-1-5-16-29/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,28,30)
InChIKeyFVPYDXLVGBMXID-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.80
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 100750028) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID100750028
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C26H25ClN2O3/c27-24-10-3-2-7-21(24)18-32-23-9-6-8-20(17-23)25(30)28-22-13-11-19(12-14-22)26(31)29-15-4-1-5-16-29/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,28,30)
InChIKeyFVPYDXLVGBMXID-UHFFFAOYSA-N
XLogP5.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 30155589
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 100750028) is 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FVPYDXLVGBMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c27-24-10-3-2-7-21(24)18-32-23-9-6-8-20(17-23)25(30)28-22-13-11-19(12-14-22)26(31)29-15-4-1-5-16-29/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,28,30).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 448.95 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 100750028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).