N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

C15H18F2N4O — CID 22196330

IUPACN-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O/c1-10-11(8-21(3)19-10)7-20(2)9-15(22)18-14-5-4-12(16)6-13(14)17/h4-6,8H,7,9H2,1-3H3,(H,18,22)
InChIKeyBAIADLZPDQSKSQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.08
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22196330) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22196330
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O/c1-10-11(8-21(3)19-10)7-20(2)9-15(22)18-14-5-4-12(16)6-13(14)17/h4-6,8H,7,9H2,1-3H3,(H,18,22)
InChIKeyBAIADLZPDQSKSQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-(5-chloro-2-pyridinyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196345
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196347
N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 99835722
N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196315
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22196330) is N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is BAIADLZPDQSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-10-11(8-21(3)19-10)7-20(2)9-15(22)18-14-5-4-12(16)6-13(14)17/h4-6,8H,7,9H2,1-3H3,(H,18,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 308.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22196330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).