4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

C14H17FN2O3 — CID 46577163

IUPAC4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14(19)16-6-5-13(18)17-7-9-20-10-8-17/h1-4H,5-10H2,(H,16,19)
InChIKeyNMMDDPVSMFPQDU-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.80
Rot. Bonds4

About 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (PubChem CID 46577163) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
PubChem CID46577163
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14(19)16-6-5-13(18)17-7-9-20-10-8-17/h1-4H,5-10H2,(H,16,19)
InChIKeyNMMDDPVSMFPQDU-UHFFFAOYSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115670843
4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
CID 135094171
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanol
CID 145138996
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
CID 145139009
N-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]-4-fluorobenzamide
CID 72549808
4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
CID 56747786
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (CID 46577163) is 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is O=C(NCCC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The InChIKey is NMMDDPVSMFPQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14(19)16-6-5-13(18)17-7-9-20-10-8-17/h1-4H,5-10H2,(H,16,19).
What are the key properties of 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide has a molecular weight of 280.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 46577163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).