N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

C28H29FN2O3 — CID 148820578

IUPACN-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C28H29FN2O3/c1-20-7-5-6-10-24(20)28(33)30-25(17-21-8-3-2-4-9-21)27(32)19-22-18-23(29)11-12-26(22)31-13-15-34-16-14-31/h2-12,18,25H,13-17,19H2,1H3,(H,30,33)
InChIKeyORRXYUSZVVOOOK-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.12
Rot. Bonds8

About N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide

N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 148820578) has the molecular formula C28H29FN2O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
PubChem CID148820578
Molecular FormulaC28H29FN2O3
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC NameN-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C28H29FN2O3/c1-20-7-5-6-10-24(20)28(33)30-25(17-21-8-3-2-4-9-21)27(32)19-22-18-23(29)11-12-26(22)31-13-15-34-16-14-31/h2-12,18,25H,13-17,19H2,1H3,(H,30,33)
InChIKeyORRXYUSZVVOOOK-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-aminopiperazin-1-yl)-5-fluorophenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide
CID 157371332
N-[4-[2-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-fluoro-2-piperazin-1-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 158168570
N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296373
[4-[2-[(2-fluorobenzoyl)amino]-4-(2-morpholin-4-ylphenyl)-3-oxobutyl]phenyl] acetate
CID 158287580
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
N-[1-(4-hydroxyphenyl)-4-(2-morpholin-4-ylphenyl)-3-oxobutan-2-yl]benzamide
CID 147521395
tert-butyl 4-[2-[4,4-dideuterio-3-[(2-fluorobenzoyl)amino]-2-oxo-4-phenylbutyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 158579821
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720005

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (CID 148820578) is N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
The InChIKey is ORRXYUSZVVOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O3/c1-20-7-5-6-10-24(20)28(33)30-25(17-21-8-3-2-4-9-21)27(32)19-22-18-23(29)11-12-26(22)31-13-15-34-16-14-31/h2-12,18,25H,13-17,19H2,1H3,(H,30,33).
What are the key properties of N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide?
N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide has a molecular weight of 460.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-morpholin-4-ylphenyl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 148820578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).