4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide

C19H18ClFN2O3 — CID 25020189

IUPAC4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18ClFN2O3/c20-16-8-15(21)7-6-14(16)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25)
InChIKeyZLWAZSDGSOEPRW-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.52
Rot. Bonds5

About 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide

4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 25020189) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID25020189
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18ClFN2O3/c20-16-8-15(21)7-6-14(16)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25)
InChIKeyZLWAZSDGSOEPRW-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cetirizine amide
CID 3068840
N-[1-(2-Chloro-6-fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488653
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24792980
(3S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-5-oxomorpholine-3-carboxamide
CID 52941885
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
N-[(2-chloro-4-fluorophenyl)methyl]-6-oxo-1-(phenylmethyl)-2-piperidinecarboxamide
CID 25019703
N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-5-oxo-4-(phenylmethyl)-3-morpholinecarboxamide
CID 25020138
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020192
4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 25020251
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
CID 59252116
(4R)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 59362327
Acetamide, 2-(2-(4-((2-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride
CID 3068842

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide (CID 25020189) is 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is ZLWAZSDGSOEPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-16-8-15(21)7-6-14(16)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25).
What are the key properties of 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 25020189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).