2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide

C22H26FN3O4 — CID 55888231

IUPAC2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C22H26FN3O4/c1-29-18-5-6-19(20(23)14-18)22(28)24-15-16-3-2-4-17(13-16)25-21(27)7-8-26-9-11-30-12-10-26/h2-6,13-14H,7-12,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyWCLSJAHUECSWNA-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.43
Rot. Bonds8

About 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide

2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 55888231) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
PubChem CID55888231
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C22H26FN3O4/c1-29-18-5-6-19(20(23)14-18)22(28)24-15-16-3-2-4-17(13-16)25-21(27)7-8-26-9-11-30-12-10-26/h2-6,13-14H,7-12,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyWCLSJAHUECSWNA-UHFFFAOYSA-N
XLogP2.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide (CID 55888231) is 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is WCLSJAHUECSWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-29-18-5-6-19(20(23)14-18)22(28)24-15-16-3-2-4-17(13-16)25-21(27)7-8-26-9-11-30-12-10-26/h2-6,13-14H,7-12,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55888231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).