3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

C22H24ClN3O3 — CID 19328023

IUPAC3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2cc(C)cn2)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O3/c1-16-13-25-26(14-16)11-3-10-24-22(27)17-4-9-21(28-2)18(12-17)15-29-20-7-5-19(23)6-8-20/h4-9,12-14H,3,10-11,15H2,1-2H3,(H,24,27)
InChIKeySZIUAUMZBHBWHX-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.25
Rot. Bonds9

About 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19328023) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19328023
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2cc(C)cn2)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O3/c1-16-13-25-26(14-16)11-3-10-24-22(27)17-4-9-21(28-2)18(12-17)15-29-20-7-5-19(23)6-8-20/h4-9,12-14H,3,10-11,15H2,1-2H3,(H,24,27)
InChIKeySZIUAUMZBHBWHX-UHFFFAOYSA-N
XLogP4.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19325756
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19325988
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19296430
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336598
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467120
4-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328112
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methoxy-3-nitrobenzamide
CID 19330272
3-[(4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456362

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (CID 19328023) is 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is COc1ccc(C(=O)NCCCn2cc(C)cn2)cc1COc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is SZIUAUMZBHBWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-16-13-25-26(14-16)11-3-10-24-22(27)17-4-9-21(28-2)18(12-17)15-29-20-7-5-19(23)6-8-20/h4-9,12-14H,3,10-11,15H2,1-2H3,(H,24,27).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 413.91 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19328023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).