N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

C20H22ClFN2O3 — CID 46571270

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCOC(c3ccc(F)cc3)C2)cc1Cl
InChIInChI=1S/C20H22ClFN2O3/c1-13(20(25)23-16-7-8-18(26-2)17(21)11-16)24-9-10-27-19(12-24)14-3-5-15(22)6-4-14/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGZDCRPLRUVLUSV-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.89
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (PubChem CID 46571270) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
PubChem CID46571270
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCOC(c3ccc(F)cc3)C2)cc1Cl
InChIInChI=1S/C20H22ClFN2O3/c1-13(20(25)23-16-7-8-18(26-2)17(21)11-16)24-9-10-27-19(12-24)14-3-5-15(22)6-4-14/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGZDCRPLRUVLUSV-UHFFFAOYSA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 55565458
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 100842886
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46571508
N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 55436535
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844711
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844709
ethyl (3S)-1-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444749
2-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513249
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 100842888
N-(5-chloro-2-methoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 17432866

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide (CID 46571270) is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is COc1ccc(NC(=O)C(C)N2CCOC(c3ccc(F)cc3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
The InChIKey is GZDCRPLRUVLUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13(20(25)23-16-7-8-18(26-2)17(21)11-16)24-9-10-27-19(12-24)14-3-5-15(22)6-4-14/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide has a molecular weight of 392.86 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 46571270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).