N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

C22H22Cl2N4O2 — CID 50841318

IUPACN-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1)NCc1cccc(Cl)c1
InChIInChI=1S/C22H22Cl2N4O2/c23-18-6-4-17(5-7-18)20-14-28(26-22(20)27-8-10-30-11-9-27)15-21(29)25-13-16-2-1-3-19(24)12-16/h1-7,12,14H,8-11,13,15H2,(H,25,29)
InChIKeyUMFAYTNDFBAZFH-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.01
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (PubChem CID 50841318) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
PubChem CID50841318
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1)NCc1cccc(Cl)c1
InChIInChI=1S/C22H22Cl2N4O2/c23-18-6-4-17(5-7-18)20-14-28(26-22(20)27-8-10-30-11-9-27)15-21(29)25-13-16-2-1-3-19(24)12-16/h1-7,12,14H,8-11,13,15H2,(H,25,29)
InChIKeyUMFAYTNDFBAZFH-UHFFFAOYSA-N
XLogP4.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161307
N-(3-fluorophenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 52905942
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905917
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78766726
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide (CID 50841318) is N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is UMFAYTNDFBAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-18-6-4-17(5-7-18)20-14-28(26-22(20)27-8-10-30-11-9-27)15-21(29)25-13-16-2-1-3-19(24)12-16/h1-7,12,14H,8-11,13,15H2,(H,25,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 445.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 50841318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).