N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide

C23H22FN3O3 — CID 53431762

IUPACN'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESCCCOc1ccc2ccccc2c1C=NN(C(=O)CC(N)=O)c1ccccc1F
InChIInChI=1S/C23H22FN3O3/c1-2-13-30-21-12-11-16-7-3-4-8-17(16)18(21)15-26-27(23(29)14-22(25)28)20-10-6-5-9-19(20)24/h3-12,15H,2,13-14H2,1H3,(H2,25,28)
InChIKeyFNAHRZPSJANDNI-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.01
Rot. Bonds8

About N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide

N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide (PubChem CID 53431762) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide
PubChem CID53431762
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESCCCOc1ccc2ccccc2c1C=NN(C(=O)CC(N)=O)c1ccccc1F
InChIInChI=1S/C23H22FN3O3/c1-2-13-30-21-12-11-16-7-3-4-8-17(16)18(21)15-26-27(23(29)14-22(25)28)20-10-6-5-9-19(20)24/h3-12,15H,2,13-14H2,1H3,(H2,25,28)
InChIKeyFNAHRZPSJANDNI-UHFFFAOYSA-N
XLogP4.01
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8932160
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
N-[3-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4588137
[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
CID 168535833
ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
CID 86662492
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3455562

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide (CID 53431762) is N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide is CCCOc1ccc2ccccc2c1C=NN(C(=O)CC(N)=O)c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide?
The InChIKey is FNAHRZPSJANDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-2-13-30-21-12-11-16-7-3-4-8-17(16)18(21)15-26-27(23(29)14-22(25)28)20-10-6-5-9-19(20)24/h3-12,15H,2,13-14H2,1H3,(H2,25,28).
What are the key properties of N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide?
N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide has a molecular weight of 407.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-[(2-propoxynaphthalen-1-yl)methylideneamino]propanediamide is sourced from PubChem (CID 53431762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).