N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C25H29FN4O4 — CID 55784551

IUPACN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1F
InChIInChI=1S/C25H29FN4O4/c26-21-8-7-20(16-22(21)28-23(31)9-11-29-12-14-34-15-13-29)27-25(33)19-5-3-18(4-6-19)17-30-10-1-2-24(30)32/h3-8,16H,1-2,9-15,17H2,(H,27,33)(H,28,31)
InChIKeyVZAYCLAQMCMMCI-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.86
Rot. Bonds8

About N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55784551) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55784551
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1F
InChIInChI=1S/C25H29FN4O4/c26-21-8-7-20(16-22(21)28-23(31)9-11-29-12-14-34-15-13-29)27-25(33)19-5-3-18(4-6-19)17-30-10-1-2-24(30)32/h3-8,16H,1-2,9-15,17H2,(H,27,33)(H,28,31)
InChIKeyVZAYCLAQMCMMCI-UHFFFAOYSA-N
XLogP2.86
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
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-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905402

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55784551) is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VZAYCLAQMCMMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c26-21-8-7-20(16-22(21)28-23(31)9-11-29-12-14-34-15-13-29)27-25(33)19-5-3-18(4-6-19)17-30-10-1-2-24(30)32/h3-8,16H,1-2,9-15,17H2,(H,27,33)(H,28,31).
What are the key properties of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 468.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55784551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).