2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide

C18H15Cl2N3O2 — CID 19397606

IUPAC2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-5-7-16(8-6-14)25-12-18(24)22-15-9-21-23(11-15)10-13-3-1-2-4-17(13)20/h1-9,11H,10,12H2,(H,22,24)
InChIKeyVUHMVAPSEHKWQF-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19397606) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID19397606
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-5-7-16(8-6-14)25-12-18(24)22-15-9-21-23(11-15)10-13-3-1-2-4-17(13)20/h1-9,11H,10,12H2,(H,22,24)
InChIKeyVUHMVAPSEHKWQF-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19400604
1-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19280255
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
CID 55848282
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273447
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507401
3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 53370702
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide (CID 19397606) is 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is VUHMVAPSEHKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-14-5-7-16(8-6-14)25-12-18(24)22-15-9-21-23(11-15)10-13-3-1-2-4-17(13)20/h1-9,11H,10,12H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 376.24 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19397606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).