2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C20H17FN4O3 — CID 135491244

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)24-20(28)22-12-19(27)25-23-11-17-16-4-2-1-3-13(16)5-10-18(17)26/h1-11,26H,12H2,(H,25,27)(H2,22,24,28)/b23-11+
InChIKeyGOMFCJJCDIZBAL-FOKLQQMPSA-N
MW380.38 g/mol
LogP2.96
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135491244) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135491244
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)24-20(28)22-12-19(27)25-23-11-17-16-4-2-1-3-13(16)5-10-18(17)26/h1-11,26H,12H2,(H,25,27)(H2,22,24,28)/b23-11+
InChIKeyGOMFCJJCDIZBAL-FOKLQQMPSA-N
XLogP2.96
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420064
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
2-[(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)thio]-N-phenylacetamide
CID 135438768
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
N'-[(E)-(2-Hydroxynaphthalen-1-YL)methylidene]-2-[(4-methoxyphenyl)amino]propanehydrazide
CID 135829859
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135592770
2-(2-((2-HO-1-Naphthyl)methylene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135716780
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-2-oxo-N-phenylacetamide
CID 136627435

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135491244) is 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is GOMFCJJCDIZBAL-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)24-20(28)22-12-19(27)25-23-11-17-16-4-2-1-3-13(16)5-10-18(17)26/h1-11,26H,12H2,(H,25,27)(H2,22,24,28)/b23-11+.
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135491244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).