N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide

C19H18ClN3O6 — CID 31815932

IUPACN-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18ClN3O6/c20-15-6-5-13(11-16(15)23(26)27)21-18(24)12-29-17-4-2-1-3-14(17)19(25)22-7-9-28-10-8-22/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyCZBNIBBIJWIFAQ-UHFFFAOYSA-N
MW419.82 g/mol
LogP2.74
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide

N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide (PubChem CID 31815932) has the molecular formula C19H18ClN3O6 and a molecular weight of 419.82 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
PubChem CID31815932
Molecular FormulaC19H18ClN3O6
Molecular Weight419.82 g/mol
Exact Mass419.09
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18ClN3O6/c20-15-6-5-13(11-16(15)23(26)27)21-18(24)12-29-17-4-2-1-3-14(17)19(25)22-7-9-28-10-8-22/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyCZBNIBBIJWIFAQ-UHFFFAOYSA-N
XLogP2.74
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619683
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55498242
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314449
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 40661980

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide (CID 31815932) is N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide is O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide?
The InChIKey is CZBNIBBIJWIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O6/c20-15-6-5-13(11-16(15)23(26)27)21-18(24)12-29-17-4-2-1-3-14(17)19(25)22-7-9-28-10-8-22/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide has a molecular weight of 419.82 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 31815932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).