3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

C20H21FN2O4 — CID 39939250

IUPAC3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H21FN2O4/c1-26-18-7-4-15(13-17(18)21)20(25)22-16-5-2-14(3-6-16)12-19(24)23-8-10-27-11-9-23/h2-7,13H,8-12H2,1H3,(H,22,25)
InChIKeyJFPBQOIBNNLDKS-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.49
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (PubChem CID 39939250) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
PubChem CID39939250
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H21FN2O4/c1-26-18-7-4-15(13-17(18)21)20(25)22-16-5-2-14(3-6-16)12-19(24)23-8-10-27-11-9-23/h2-7,13H,8-12H2,1H3,(H,22,25)
InChIKeyJFPBQOIBNNLDKS-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
1-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804234
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (CID 39939250) is 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The InChIKey is JFPBQOIBNNLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-18-7-4-15(13-17(18)21)20(25)22-16-5-2-14(3-6-16)12-19(24)23-8-10-27-11-9-23/h2-7,13H,8-12H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is sourced from PubChem (CID 39939250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).