4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

C23H25ClN4O3 — CID 26356006

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C23H25ClN4O3/c1-5-27(14-21(29)25-19-8-6-7-9-20(19)31-4)23(30)17-10-12-18(13-11-17)28-16(3)22(24)15(2)26-28/h6-13H,5,14H2,1-4H3,(H,25,29)
InChIKeyWHKYWUJEXORTIN-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.25
Rot. Bonds7

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 26356006) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID26356006
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C23H25ClN4O3/c1-5-27(14-21(29)25-19-8-6-7-9-20(19)31-4)23(30)17-10-12-18(13-11-17)28-16(3)22(24)15(2)26-28/h6-13H,5,14H2,1-4H3,(H,25,29)
InChIKeyWHKYWUJEXORTIN-UHFFFAOYSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-phenylmethoxybenzamide
CID 27741024
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55331652
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 27788219
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 55398511
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1062155
1-[(4-chlorophenyl)methyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27833135

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (CID 26356006) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is WHKYWUJEXORTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-5-27(14-21(29)25-19-8-6-7-9-20(19)31-4)23(30)17-10-12-18(13-11-17)28-16(3)22(24)15(2)26-28/h6-13H,5,14H2,1-4H3,(H,25,29).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 440.93 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26356006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).