4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C24H20BrN3O2 — CID 997045

IUPAC4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H20BrN3O2/c25-22-4-1-2-5-23(22)30-17-19-6-10-20(11-7-19)24(29)27-21-12-8-18(9-13-21)16-28-15-3-14-26-28/h1-15H,16-17H2,(H,27,29)
InChIKeyMDWYJUCOMXZDAS-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.53
Rot. Bonds7

About 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 997045) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID997045
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC Name4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C24H20BrN3O2/c25-22-4-1-2-5-23(22)30-17-19-6-10-20(11-7-19)24(29)27-21-12-8-18(9-13-21)16-28-15-3-14-26-28/h1-15H,16-17H2,(H,27,29)
InChIKeyMDWYJUCOMXZDAS-UHFFFAOYSA-N
XLogP5.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997073
4-[(4-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997311
4-[(4-bromophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 997438
4-[(3-bromophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 997139
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158
4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzamide
CID 997451
4-[(2-bromophenoxy)methyl]-N-pyridin-3-ylbenzamide
CID 1239651
4-[(2-bromophenoxy)methyl]-N-(3-pyridinylmethyl)benzamide
CID 2193327
N-(4-bromophenyl)-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340269
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(phenoxymethyl)benzamide
CID 134328815
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 41590651
(E)-N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569736

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 997045) is 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is MDWYJUCOMXZDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c25-22-4-1-2-5-23(22)30-17-19-6-10-20(11-7-19)24(29)27-21-12-8-18(9-13-21)16-28-15-3-14-26-28/h1-15H,16-17H2,(H,27,29).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 462.35 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).