2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C19H17Cl2N3O2 — CID 55525747

IUPAC2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H17Cl2N3O2/c20-17-7-6-16(10-18(17)21)26-13-19(25)22-11-14-4-1-2-5-15(14)12-24-9-3-8-23-24/h1-10H,11-13H2,(H,22,25)
InChIKeyWLZGUJRHVYNBEF-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.93
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55525747) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55525747
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C19H17Cl2N3O2/c20-17-7-6-16(10-18(17)21)26-13-19(25)22-11-14-4-1-2-5-15(14)12-24-9-3-8-23-24/h1-10H,11-13H2,(H,22,25)
InChIKeyWLZGUJRHVYNBEF-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419280
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
2-naphthalen-2-ylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34581407
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
N-[(2-chlorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978604
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55525747) is 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is WLZGUJRHVYNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-17-7-6-16(10-18(17)21)26-13-19(25)22-11-14-4-1-2-5-15(14)12-24-9-3-8-23-24/h1-10H,11-13H2,(H,22,25).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55525747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).