N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

C22H19ClN2O4 — CID 2903171

IUPACN-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O4/c1-14(26)25(16-6-4-5-15(23)13-16)20-19(24-9-11-29-12-10-24)21(27)17-7-2-3-8-18(17)22(20)28/h2-8,13H,9-12H2,1H3
InChIKeyOHLXSZFSEWDGSS-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.32
Rot. Bonds3

About N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide

N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (PubChem CID 2903171) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
PubChem CID2903171
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C22H19ClN2O4/c1-14(26)25(16-6-4-5-15(23)13-16)20-19(24-9-11-29-12-10-24)21(27)17-7-2-3-8-18(17)22(20)28/h2-8,13H,9-12H2,1H3
InChIKeyOHLXSZFSEWDGSS-UHFFFAOYSA-N
XLogP3.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(4-heptylphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 46499618
N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
CID 2903286
N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
CID 46500538
dimethyl (2S)-2-[acetyl-[1,4-dioxo-3-(1,4,7-trioxa-10-azacyclododec-10-yl)naphthalen-2-yl]amino]butanedioate
CID 102095398
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide
CID 5198828
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 11632476
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
CID 781111
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide (CID 2903171) is N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
The InChIKey is OHLXSZFSEWDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-14(26)25(16-6-4-5-15(23)13-16)20-19(24-9-11-29-12-10-24)21(27)17-7-2-3-8-18(17)22(20)28/h2-8,13H,9-12H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide?
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide has a molecular weight of 410.86 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide is sourced from PubChem (CID 2903171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).