N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide

C16H20FN3O2 — CID 819834

IUPACN-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1F
InChIInChI=1S/C16H20FN3O2/c17-14-9-5-4-6-12(14)11-18-20-16(22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyHHSXSWMQSZXZPD-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.11
Rot. Bonds5

About N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide

N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide (PubChem CID 819834) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide
PubChem CID819834
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1F
InChIInChI=1S/C16H20FN3O2/c17-14-9-5-4-6-12(14)11-18-20-16(22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,21)(H,20,22)
InChIKeyHHSXSWMQSZXZPD-UHFFFAOYSA-N
XLogP2.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'~1~,N'~3~-bis[(E)-(4-fluorophenyl)methylidene]propanedihydrazide
CID 6884417
N-cyclohexyl-2-{N'-[(E)-(4-isopropylphenyl)methylidene]hydrazinecarbonyl}acetamide
CID 9563176
N-allyl-3-[2-(2-fluorobenzylidene)hydrazino]-3-oxopropanamide
CID 5334645
3-[2-(4-fluorobenzylidene)hydrazino]-N-isopropyl-3-oxopropanamide
CID 5335192
1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea
CID 6903771
2-(Benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563175
2-(4-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563178
N'-benzylidene-2-oxo-3-piperidinecarbohydrazide
CID 9566843
2-(4-Fluoro-benzylidene-hydrazinocarbonyl)-N-isobutyl-acetamide
CID 9591591
2-(2-Chloro-6-fluoro-benzylidene-hydrazinocarbonyl)-N-phenethyl-acetamide
CID 9594313
N'-(3-methylbenzylidene)-2-oxo-3-piperidinecarbohydrazide
CID 9668313
N-allyl-3-[2-(3-methylbenzylidene)hydrazino]-3-oxopropanamide
CID 9725894

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide?
The IUPAC name of N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide (CID 819834) is N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide is O=C(CC(=O)NC1CCCCC1)NN=Cc1ccccc1F.
What is the InChIKey of N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide?
The InChIKey is HHSXSWMQSZXZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-14-9-5-4-6-12(14)11-18-20-16(22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide?
N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide has a molecular weight of 305.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(2-fluorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 819834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).