3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide

C15H17FN4O2 — CID 78839008

IUPAC3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-19(9-11-7-18-20(2)10-11)14(21)8-17-15(22)12-4-3-5-13(16)6-12/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyUXFMCPWFDBUZGE-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.95
Rot. Bonds5

About 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 78839008) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID78839008
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2/c1-19(9-11-7-18-20(2)10-11)14(21)8-17-15(22)12-4-3-5-13(16)6-12/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyUXFMCPWFDBUZGE-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27827538
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
3,4-dichloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 8950479
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide (CID 78839008) is 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide is CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is UXFMCPWFDBUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-19(9-11-7-18-20(2)10-11)14(21)8-17-15(22)12-4-3-5-13(16)6-12/h3-7,10H,8-9H2,1-2H3,(H,17,22).
What are the key properties of 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 304.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78839008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).