N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C19H19FN4O2 — CID 9041614

IUPACN-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c1-24(13-19(26)23-17-4-2-3-15(20)11-17)12-18(25)22-16-7-5-14(6-8-16)9-10-21/h2-8,11H,9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFVSHDZBXOJHELM-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.40
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9041614) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9041614
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c1-24(13-19(26)23-17-4-2-3-15(20)11-17)12-18(25)22-16-7-5-14(6-8-16)9-10-21/h2-8,11H,9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyFVSHDZBXOJHELM-UHFFFAOYSA-N
XLogP2.40
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846807
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9041614) is N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(CC#N)cc1)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FVSHDZBXOJHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-24(13-19(26)23-17-4-2-3-15(20)11-17)12-18(25)22-16-7-5-14(6-8-16)9-10-21/h2-8,11H,9,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9041614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).