3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide

C23H26ClN3O3 — CID 19467120

IUPAC3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
SMILESCCn1ncc(C(C)NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1C
InChIInChI=1S/C23H26ClN3O3/c1-5-27-16(3)21(13-25-27)15(2)26-23(28)17-6-11-22(29-4)18(12-17)14-30-20-9-7-19(24)8-10-20/h6-13,15H,5,14H2,1-4H3,(H,26,28)
InChIKeyLUQLGDFJNBUVAP-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.94
Rot. Bonds8

About 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide

3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide (PubChem CID 19467120) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
PubChem CID19467120
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
SMILESCCn1ncc(C(C)NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1C
InChIInChI=1S/C23H26ClN3O3/c1-5-27-16(3)21(13-25-27)15(2)26-23(28)17-6-11-22(29-4)18(12-17)14-30-20-9-7-19(24)8-10-20/h6-13,15H,5,14H2,1-4H3,(H,26,28)
InChIKeyLUQLGDFJNBUVAP-UHFFFAOYSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467140
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19467175
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxy-N-methylbenzamide
CID 19460820
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328023
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336598
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19296430
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide (CID 19467120) is 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide is CCn1ncc(C(C)NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1C.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide?
The InChIKey is LUQLGDFJNBUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-5-27-16(3)21(13-25-27)15(2)26-23(28)17-6-11-22(29-4)18(12-17)14-30-20-9-7-19(24)8-10-20/h6-13,15H,5,14H2,1-4H3,(H,26,28).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide?
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide has a molecular weight of 427.93 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 19467120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).