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

C21H22ClN3O2 — CID 19323842

IUPAC4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccn(CCCNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H22ClN3O2/c1-16-11-14-25(24-16)13-2-12-23-21(26)18-5-3-17(4-6-18)15-27-20-9-7-19(22)8-10-20/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)
InChIKeyQLRHGMKSHZMWSF-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.24
Rot. Bonds8

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

4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19323842) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19323842
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccn(CCCNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C21H22ClN3O2/c1-16-11-14-25(24-16)13-2-12-23-21(26)18-5-3-17(4-6-18)15-27-20-9-7-19(22)8-10-20/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)
InChIKeyQLRHGMKSHZMWSF-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

4-[(4-bromo-2-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323813
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323814
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927
4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide (CID 19323842) is 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is Cc1ccn(CCCNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is QLRHGMKSHZMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-16-11-14-25(24-16)13-2-12-23-21(26)18-5-3-17(4-6-18)15-27-20-9-7-19(22)8-10-20/h3-11,14H,2,12-13,15H2,1H3,(H,23,26).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide?
4-[(4-chlorophenoxy)methyl]-N-[3-(3-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 4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19323842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).