2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide

C16H22FN3O3 — CID 46993248

IUPAC2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NCCN1CCOCC1
InChIInChI=1S/C16H22FN3O3/c17-14-4-2-1-3-13(14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22)
InChIKeyGJPLJOQFBREQDN-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.39
Rot. Bonds7

About 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide

2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide (PubChem CID 46993248) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
PubChem CID46993248
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NCCN1CCOCC1
InChIInChI=1S/C16H22FN3O3/c17-14-4-2-1-3-13(14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22)
InChIKeyGJPLJOQFBREQDN-UHFFFAOYSA-N
XLogP0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide (CID 46993248) is 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1F)NCCN1CCOCC1.
What is the InChIKey of 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
The InChIKey is GJPLJOQFBREQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c17-14-4-2-1-3-13(14)16(22)19-6-5-15(21)18-7-8-20-9-11-23-12-10-20/h1-4H,5-12H2,(H,18,21)(H,19,22).
What are the key properties of 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide?
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 46993248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).