2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide

C21H23ClN4O2 — CID 24815737

IUPAC2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C21H23ClN4O2/c1-25(13-15-7-5-4-6-8-15)14-20(27)24-16-9-10-19(28-3)17(11-16)21-18(22)12-23-26(21)2/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyHSIWHIKTGUUOKS-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.82
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide

2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide (PubChem CID 24815737) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
PubChem CID24815737
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C21H23ClN4O2/c1-25(13-15-7-5-4-6-8-15)14-20(27)24-16-9-10-19(28-3)17(11-16)21-18(22)12-23-26(21)2/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyHSIWHIKTGUUOKS-UHFFFAOYSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
CID 24815832
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
CID 11545269
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 11675550
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 24815642
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
CID 68956095
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
1-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-benzylurea
CID 66928271
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 11648252
1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea
CID 24889373

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide (CID 24815737) is 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The InChIKey is HSIWHIKTGUUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25(13-15-7-5-4-6-8-15)14-20(27)24-16-9-10-19(28-3)17(11-16)21-18(22)12-23-26(21)2/h4-12H,13-14H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 24815737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).