3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide

C19H17BrClN3O2 — CID 19283361

IUPAC3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C19H17BrClN3O2/c20-16-4-6-18(7-5-16)26-13-14-2-1-3-15(10-14)19(25)22-8-9-24-12-17(21)11-23-24/h1-7,10-12H,8-9,13H2,(H,22,25)
InChIKeyOUJBQXTZWOCOCV-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.31
Rot. Bonds7

About 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide

3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide (PubChem CID 19283361) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
PubChem CID19283361
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC Name3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cccc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C19H17BrClN3O2/c20-16-4-6-18(7-5-16)26-13-14-2-1-3-15(10-14)19(25)22-8-9-24-12-17(21)11-23-24/h1-7,10-12H,8-9,13H2,(H,22,25)
InChIKeyOUJBQXTZWOCOCV-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19282948
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
3-[(4-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338210
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
N-[3-(4-chloropyrazol-1-yl)propyl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19330280
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19282819
3-[(4-ethoxyphenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19574757
N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19297491
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19282912

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide (CID 19283361) is 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide is O=C(NCCn1cc(Cl)cn1)c1cccc(COc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide?
The InChIKey is OUJBQXTZWOCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c20-16-4-6-18(7-5-16)26-13-14-2-1-3-15(10-14)19(25)22-8-9-24-12-17(21)11-23-24/h1-7,10-12H,8-9,13H2,(H,22,25).
What are the key properties of 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide?
3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide has a molecular weight of 434.72 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19283361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).