2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

C21H24ClN3O4 — CID 42953030

IUPAC2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(29-19-5-3-2-4-18(19)22)21(27)24-17-8-6-16(7-9-17)23-20(26)14-25-10-12-28-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyPFEOLQKKRPHBOV-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (PubChem CID 42953030) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
PubChem CID42953030
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(29-19-5-3-2-4-18(19)22)21(27)24-17-8-6-16(7-9-17)23-20(26)14-25-10-12-28-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyPFEOLQKKRPHBOV-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55793069
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55504284
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (CID 42953030) is 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The InChIKey is PFEOLQKKRPHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-15(29-19-5-3-2-4-18(19)22)21(27)24-17-8-6-16(7-9-17)23-20(26)14-25-10-12-28-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide has a molecular weight of 417.89 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 42953030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).