4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C19H17Cl2N3O2 — CID 19292553

IUPAC4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-24-16(8-9-23-24)11-22-19(25)14-4-2-13(3-5-14)12-26-18-7-6-15(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyYHXOGGZDLJYASM-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.24
Rot. Bonds6

About 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19292553) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19292553
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-24-16(8-9-23-24)11-22-19(25)14-4-2-13(3-5-14)12-26-18-7-6-15(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyYHXOGGZDLJYASM-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-4-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292599
4-[(2,4-dichlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19571726
3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458220
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
3-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292613
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247
3-[(2,4-dimethylphenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292623
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 19292553) is 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is YHXOGGZDLJYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-24-16(8-9-23-24)11-22-19(25)14-4-2-13(3-5-14)12-26-18-7-6-15(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 390.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19292553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).