3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide

C16H23FN4O3 — CID 119849282

IUPAC3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C16H23FN4O3/c17-13-2-1-12(19-15(22)3-5-18)11-14(13)20-16(23)4-6-21-7-9-24-10-8-21/h1-2,11H,3-10,18H2,(H,19,22)(H,20,23)
InChIKeyLZHXROWPDUQVOF-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.77
Rot. Bonds7

About 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide (PubChem CID 119849282) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
PubChem CID119849282
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Name3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C16H23FN4O3/c17-13-2-1-12(19-15(22)3-5-18)11-14(13)20-16(23)4-6-21-7-9-24-10-8-21/h1-2,11H,3-10,18H2,(H,19,22)(H,20,23)
InChIKeyLZHXROWPDUQVOF-UHFFFAOYSA-N
XLogP0.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
CID 55731977
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide (CID 119849282) is 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide is NCCC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide?
The InChIKey is LZHXROWPDUQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c17-13-2-1-12(19-15(22)3-5-18)11-14(13)20-16(23)4-6-21-7-9-24-10-8-21/h1-2,11H,3-10,18H2,(H,19,22)(H,20,23).
What are the key properties of 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide?
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide has a molecular weight of 338.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 119849282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).