N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide

C23H22Cl2N4O2 — CID 166332599

IUPACN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
SMILESCn1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22Cl2N4O2/c1-29-14-19(20(28-29)15-6-3-2-4-7-15)26-21(30)22(31)27-23(10-5-11-23)13-16-8-9-17(24)12-18(16)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,30)(H,27,31)
InChIKeyIKHOZQGTDDFFJD-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.61
Rot. Bonds5

About N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide

N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide (PubChem CID 166332599) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
PubChem CID166332599
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC NameN'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
SMILESCn1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22Cl2N4O2/c1-29-14-19(20(28-29)15-6-3-2-4-7-15)26-21(30)22(31)27-23(10-5-11-23)13-16-8-9-17(24)12-18(16)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,30)(H,27,31)
InChIKeyIKHOZQGTDDFFJD-UHFFFAOYSA-N
XLogP4.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-pyrazolo[1,5-a]pyrimidin-3-yloxamide
CID 167870668
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-1-methylpyrazole-4-carboxylate
CID 166332702
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017219
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
CID 166332692
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]oxamide
CID 167981612
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
CID 166332653
methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
CID 166332647
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
CID 166332649
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide?
The IUPAC name of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide (CID 166332599) is N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide.
What is the SMILES notation for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide?
The canonical SMILES for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide is Cn1cc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c(-c2ccccc2)n1.
What is the InChIKey of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide?
The InChIKey is IKHOZQGTDDFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-29-14-19(20(28-29)15-6-3-2-4-7-15)26-21(30)22(31)27-23(10-5-11-23)13-16-8-9-17(24)12-18(16)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide?
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide has a molecular weight of 457.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide is sourced from PubChem (CID 166332599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).