2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide

C21H19Cl2N3O2 — CID 19325848

IUPAC2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C21H19Cl2N3O2/c1-14-19(23)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28)
InChIKeyUWHOAFIWKNBXFF-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.55
Rot. Bonds7

About 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide

2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19325848) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19325848
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C21H19Cl2N3O2/c1-14-19(23)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28)
InChIKeyUWHOAFIWKNBXFF-UHFFFAOYSA-N
XLogP4.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.55
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

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
CID 19329951
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19325839
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19325826
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19325756
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271206
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
3-(1-adamantyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 19473781
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19543953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide (CID 19325848) is 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide is Cc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is UWHOAFIWKNBXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-14-19(23)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28).
What are the key properties of 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide?
2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 416.31 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19325848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).