3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide

C17H16ClFN4O3 — CID 78766839

IUPAC3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H16ClFN4O3/c18-13-6-1-2-7-14(13)22-16(24)9-15(20)23-26-10-17(25)21-12-5-3-4-11(19)8-12/h1-8H,9-10H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyOFZOLDMMFNUTPZ-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.74
Rot. Bonds7

About 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide

3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide (PubChem CID 78766839) has the molecular formula C17H16ClFN4O3 and a molecular weight of 378.79 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
PubChem CID78766839
Molecular FormulaC17H16ClFN4O3
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
SMILESNC(CC(=O)Nc1ccccc1Cl)=NOCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H16ClFN4O3/c18-13-6-1-2-7-14(13)22-16(24)9-15(20)23-26-10-17(25)21-12-5-3-4-11(19)8-12/h1-8H,9-10H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyOFZOLDMMFNUTPZ-UHFFFAOYSA-N
XLogP2.74
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide (CID 78766839) is 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide is NC(CC(=O)Nc1ccccc1Cl)=NOCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide?
The InChIKey is OFZOLDMMFNUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O3/c18-13-6-1-2-7-14(13)22-16(24)9-15(20)23-26-10-17(25)21-12-5-3-4-11(19)8-12/h1-8H,9-10H2,(H2,20,23)(H,21,25)(H,22,24).
What are the key properties of 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide?
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide has a molecular weight of 378.79 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide is sourced from PubChem (CID 78766839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).