N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide

C20H20ClN3O3 — CID 19283405

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-26-18-6-8-19(9-7-18)27-14-15-2-4-16(5-3-15)20(25)22-10-11-24-13-17(21)12-23-24/h2-9,12-13H,10-11,14H2,1H3,(H,22,25)
InChIKeyUPZQGWQCMNZXTL-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.55
Rot. Bonds8

About N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 19283405) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
PubChem CID19283405
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-26-18-6-8-19(9-7-18)27-14-15-2-4-16(5-3-15)20(25)22-10-11-24-13-17(21)12-23-24/h2-9,12-13H,10-11,14H2,1H3,(H,22,25)
InChIKeyUPZQGWQCMNZXTL-UHFFFAOYSA-N
XLogP3.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
CID 19283361
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19322891
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 19283384
4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323842
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide (CID 19283405) is N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)NCCn3cc(Cl)cn3)cc2)cc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The InChIKey is UPZQGWQCMNZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-26-18-6-8-19(9-7-18)27-14-15-2-4-16(5-3-15)20(25)22-10-11-24-13-17(21)12-23-24/h2-9,12-13H,10-11,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19283405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).