3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

C21H22ClN3O2 — CID 19327741

IUPAC3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccnn1CCCNC(=O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c1-16-9-11-24-25(16)12-4-10-23-21(26)18-6-2-5-17(13-18)15-27-20-8-3-7-19(22)14-20/h2-3,5-9,11,13-14H,4,10,12,15H2,1H3,(H,23,26)
InChIKeyNQHQHDGMMFYYLF-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.24
Rot. Bonds8

About 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide

3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19327741) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19327741
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccnn1CCCNC(=O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c1-16-9-11-24-25(16)12-4-10-23-21(26)18-6-2-5-17(13-18)15-27-20-8-3-7-19(22)14-20/h2-3,5-9,11,13-14H,4,10,12,15H2,1H3,(H,23,26)
InChIKeyNQHQHDGMMFYYLF-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758
3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327775
1-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19276597
4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
3-[(3-bromophenoxy)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19295448
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
3-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335979
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19295430

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide (CID 19327741) is 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is Cc1ccnn1CCCNC(=O)c1cccc(COc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is NQHQHDGMMFYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-16-9-11-24-25(16)12-4-10-23-21(26)18-6-2-5-17(13-18)15-27-20-8-3-7-19(22)14-20/h2-3,5-9,11,13-14H,4,10,12,15H2,1H3,(H,23,26).
What are the key properties of 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide?
3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 383.88 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19327741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).