N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide

C19H20Cl2N2O3 — CID 16550990

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(26-16-4-2-3-14(20)11-16)19(24)22-17-12-15(21)5-6-18(17)23-7-9-25-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyOHOCERLDTFGBNS-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.24
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 16550990) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID16550990
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(26-16-4-2-3-14(20)11-16)19(24)22-17-12-15(21)5-6-18(17)23-7-9-25-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyOHOCERLDTFGBNS-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide (CID 16550990) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is OHOCERLDTFGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-13(26-16-4-2-3-14(20)11-16)19(24)22-17-12-15(21)5-6-18(17)23-7-9-25-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 395.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 16550990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).