N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide

C20H23ClN2O4 — CID 110427902

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)11-14-3-5-15(6-4-14)23-7-9-27-10-8-23/h3-6,12-13H,7-11H2,1-2H3,(H,22,24)
InChIKeyIPGOQLSLDOOAGK-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.38
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110427902) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110427902
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)11-14-3-5-15(6-4-14)23-7-9-27-10-8-23/h3-6,12-13H,7-11H2,1-2H3,(H,22,24)
InChIKeyIPGOQLSLDOOAGK-UHFFFAOYSA-N
XLogP3.38
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42059549
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
(3E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-morpholin-4-yl-2-oxoacetyl)hydrazinylidene]butanamide
CID 45034145
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
N-(5-acetyl-2-methylphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425585

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide (CID 110427902) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(N3CCOCC3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IPGOQLSLDOOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-20(24)11-14-3-5-15(6-4-14)23-7-9-27-10-8-23/h3-6,12-13H,7-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 390.87 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110427902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).