N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C19H14FN3O3 — CID 136715554

IUPACN-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H14FN3O3/c20-15-7-3-4-8-16(15)22-18(25)19(26)23-21-11-14-13-6-2-1-5-12(13)9-10-17(14)24/h1-11,24H,(H,22,25)(H,23,26)/b21-11-
InChIKeySDVFZCWQKPZGAN-NHDPSOOVSA-N
MW351.34 g/mol
LogP2.77
Rot. Bonds3

About N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 136715554) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID136715554
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC NameN-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H14FN3O3/c20-15-7-3-4-8-16(15)22-18(25)19(26)23-21-11-14-13-6-2-1-5-12(13)9-10-17(14)24/h1-11,24H,(H,22,25)(H,23,26)/b21-11-
InChIKeySDVFZCWQKPZGAN-NHDPSOOVSA-N
XLogP2.77
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135613934
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135607051
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8932160
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135509047
N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135607216
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 136715554) is N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is SDVFZCWQKPZGAN-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-15-7-3-4-8-16(15)22-18(25)19(26)23-21-11-14-13-6-2-1-5-12(13)9-10-17(14)24/h1-11,24H,(H,22,25)(H,23,26)/b21-11-.
What are the key properties of N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 351.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 136715554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).