N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide

C20H22ClN3O4 — CID 60597032

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c21-17-5-3-16(4-6-17)19(23-9-11-28-12-10-23)14-22-20(25)13-15-1-7-18(8-2-15)24(26)27/h1-8,19H,9-14H2,(H,22,25)
InChIKeyINGSYSZSHKNXLN-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 60597032) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide
PubChem CID60597032
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c21-17-5-3-16(4-6-17)19(23-9-11-28-12-10-23)14-22-20(25)13-15-1-7-18(8-2-15)24(26)27/h1-8,19H,9-14H2,(H,22,25)
InChIKeyINGSYSZSHKNXLN-UHFFFAOYSA-N
XLogP2.98
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-(4-chlorophenyl)acetamide
CID 22583873
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 31205189
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 60597261
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide (CID 60597032) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCC(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is INGSYSZSHKNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c21-17-5-3-16(4-6-17)19(23-9-11-28-12-10-23)14-22-20(25)13-15-1-7-18(8-2-15)24(26)27/h1-8,19H,9-14H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 60597032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).