2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide

C20H17Cl2N3O2 — CID 19296874

IUPAC2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-2-25-18(17(22)11-24-25)12-23-20(27)16-6-4-3-5-15(16)19(26)13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H,23,27)
InChIKeyMZXJWQHLZORCEK-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide

2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide (PubChem CID 19296874) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
PubChem CID19296874
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-2-25-18(17(22)11-24-25)12-23-20(27)16-6-4-3-5-15(16)19(26)13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H,23,27)
InChIKeyMZXJWQHLZORCEK-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-nitrobenzamide
CID 19296653
2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
2-(4-chlorobenzoyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340402
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-nitrobenzamide
CID 19322650
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19296706
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide (CID 19296874) is 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide is CCn1ncc(Cl)c1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide?
The InChIKey is MZXJWQHLZORCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-2-25-18(17(22)11-24-25)12-23-20(27)16-6-4-3-5-15(16)19(26)13-7-9-14(21)10-8-13/h3-11H,2,12H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide?
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide has a molecular weight of 402.28 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 19296874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).