2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide

C18H23FN4O3 — CID 60530456

IUPAC2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C18H23FN4O3/c1-18(2,12-20)17(25)21-13-3-4-14(19)15(11-13)22-16(24)5-6-23-7-9-26-10-8-23/h3-4,11H,5-10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUISFJZXSZSEMGT-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.97
Rot. Bonds6

About 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide

2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide (PubChem CID 60530456) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
PubChem CID60530456
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C18H23FN4O3/c1-18(2,12-20)17(25)21-13-3-4-14(19)15(11-13)22-16(24)5-6-23-7-9-26-10-8-23/h3-4,11H,5-10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUISFJZXSZSEMGT-UHFFFAOYSA-N
XLogP1.97
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide (CID 60530456) is 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide?
The InChIKey is UISFJZXSZSEMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-18(2,12-20)17(25)21-13-3-4-14(19)15(11-13)22-16(24)5-6-23-7-9-26-10-8-23/h3-4,11H,5-10H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide?
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide has a molecular weight of 362.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 60530456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).