N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

C19H19FN4O2 — CID 4879932

IUPACN-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c1-13(19(26)23-16-8-6-14(11-21)7-9-16)24(2)12-18(25)22-17-5-3-4-15(20)10-17/h3-10,13H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBGXIDARRPMCGOF-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.59
Rot. Bonds6

About N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 4879932) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID4879932
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c1-13(19(26)23-16-8-6-14(11-21)7-9-16)24(2)12-18(25)22-17-5-3-4-15(20)10-17/h3-10,13H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBGXIDARRPMCGOF-UHFFFAOYSA-N
XLogP2.59
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (CID 4879932) is N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is BGXIDARRPMCGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13(19(26)23-16-8-6-14(11-21)7-9-16)24(2)12-18(25)22-17-5-3-4-15(20)10-17/h3-10,13H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 354.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 4879932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).