4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile

C15H17FN4O2 — CID 47056002

IUPAC4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile
SMILESCCN(CC(=O)N1CCNC1=O)Cc1ccc(C#N)cc1F
InChIInChI=1S/C15H17FN4O2/c1-2-19(10-14(21)20-6-5-18-15(20)22)9-12-4-3-11(8-17)7-13(12)16/h3-4,7H,2,5-6,9-10H2,1H3,(H,18,22)
InChIKeyLVWKJTZJCWQJFP-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.07
Rot. Bonds5

About 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile

4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile (PubChem CID 47056002) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile
PubChem CID47056002
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile
SMILESCCN(CC(=O)N1CCNC1=O)Cc1ccc(C#N)cc1F
InChIInChI=1S/C15H17FN4O2/c1-2-19(10-14(21)20-6-5-18-15(20)22)9-12-4-3-11(8-17)7-13(12)16/h3-4,7H,2,5-6,9-10H2,1H3,(H,18,22)
InChIKeyLVWKJTZJCWQJFP-UHFFFAOYSA-N
XLogP1.07
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(4-cyano-2-fluorophenyl)methyl-ethylamino]acetamide
CID 36797986
4-[[ethyl(prop-2-enyl)amino]methyl]-3-fluorobenzonitrile
CID 47038993
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3-fluorobenzonitrile
CID 78927351
4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-fluorobenzonitrile
CID 63956998
4-[[ethyl(2-ethylbutyl)amino]methyl]-3-fluorobenzonitrile
CID 60969380
2-[(4-cyano-2-fluorophenyl)methyl-prop-2-enylamino]acetic acid
CID 79277564
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
4-[[ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-fluorobenzonitrile
CID 47053611
2-[(2-butoxy-2-oxoethyl)-[(4-cyano-2-fluorophenyl)methyl]amino]acetic acid
CID 175859507
4-[(4-cyano-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 55006024
3-fluoro-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzonitrile
CID 63373269

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile (CID 47056002) is 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile is CCN(CC(=O)N1CCNC1=O)Cc1ccc(C#N)cc1F.
What is the InChIKey of 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile?
The InChIKey is LVWKJTZJCWQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-2-19(10-14(21)20-6-5-18-15(20)22)9-12-4-3-11(8-17)7-13(12)16/h3-4,7H,2,5-6,9-10H2,1H3,(H,18,22).
What are the key properties of 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile?
4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile has a molecular weight of 304.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 47056002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).