N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide

C21H19FN2O3 — CID 2914378

IUPACN-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide
SMILESCCCNC1=C(N(C(C)=O)c2cccc(F)c2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H19FN2O3/c1-3-11-23-18-19(21(27)17-10-5-4-9-16(17)20(18)26)24(13(2)25)15-8-6-7-14(22)12-15/h4-10,12,23H,3,11H2,1-2H3
InChIKeySAPBQULMOGDOGL-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.47
Rot. Bonds5

About N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide

N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 2914378) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide
PubChem CID2914378
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide
SMILESCCCNC1=C(N(C(C)=O)c2cccc(F)c2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H19FN2O3/c1-3-11-23-18-19(21(27)17-10-5-4-9-16(17)20(18)26)24(13(2)25)15-8-6-7-14(22)12-15/h4-10,12,23H,3,11H2,1-2H3
InChIKeySAPBQULMOGDOGL-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylamino-1,4-naphthoquinone
CID 81124
2-Anilino-3-chloro-1,4-naphthoquinone
CID 14161
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
2-Amino-3-[(3,5-dimethylphenyl)amino]naphthoquinone
CID 24761574
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150
GNF-Pf-4576
CID 2833933
2-((4-Fluorophenyl)amino)-3-(piperidin-1-yl)naphthalene-1,4-dione
CID 2893391
2-Anilino-3-piperidin-1-ylnaphthalene-1,4-dione
CID 3147878
N-[1,4-dioxo-3-(phenethylamino)-1,4-dihydro-2-naphthalenyl]-N-(4-fluorobenzyl)acetamide
CID 3339005
Ripgbm
CID 3793001
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide (CID 2914378) is N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide is CCCNC1=C(N(C(C)=O)c2cccc(F)c2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is SAPBQULMOGDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-3-11-23-18-19(21(27)17-10-5-4-9-16(17)20(18)26)24(13(2)25)15-8-6-7-14(22)12-15/h4-10,12,23H,3,11H2,1-2H3.
What are the key properties of N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide?
N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 366.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxo-3-(propylamino)naphthalen-2-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2914378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).