4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide

C24H19Cl2N3O3 — CID 19408613

IUPAC4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19Cl2N3O3/c25-19-8-10-22(11-9-19)31-15-17-4-6-18(7-5-17)24(30)28-21-13-27-29(14-21)16-32-23-3-1-2-20(26)12-23/h1-14H,15-16H2,(H,28,30)
InChIKeyHLQSSPWKRLIXBF-UHFFFAOYSA-N
MW468.34 g/mol
LogP6.06
Rot. Bonds8

About 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide

4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide (PubChem CID 19408613) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
PubChem CID19408613
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19Cl2N3O3/c25-19-8-10-22(11-9-19)31-15-17-4-6-18(7-5-17)24(30)28-21-13-27-29(14-21)16-32-23-3-1-2-20(26)12-23/h1-14H,15-16H2,(H,28,30)
InChIKeyHLQSSPWKRLIXBF-UHFFFAOYSA-N
XLogP6.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19408580
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408634
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19452565
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448267
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19408530
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19408578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide (CID 19408613) is 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(COc2cccc(Cl)c2)c1)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide?
The InChIKey is HLQSSPWKRLIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c25-19-8-10-22(11-9-19)31-15-17-4-6-18(7-5-17)24(30)28-21-13-27-29(14-21)16-32-23-3-1-2-20(26)12-23/h1-14H,15-16H2,(H,28,30).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide?
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide has a molecular weight of 468.34 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19408613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).