N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

C16H15ClFN3O2 — CID 175426939

IUPACN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Cl)c1O
InChIInChI=1S/C16H15ClFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyISVXLFXKUBJSAN-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.14
Rot. Bonds5

About N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (PubChem CID 175426939) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
PubChem CID175426939
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC NameN-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Cl)c1O
InChIInChI=1S/C16H15ClFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyISVXLFXKUBJSAN-UHFFFAOYSA-N
XLogP3.14
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.14
H-Bond Donors ≤ 53
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

N-[(2,6-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
CID 175426842
N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
CID 175426870
N-[(2,3-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)butanamide
CID 168875871
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
(2S)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136851962
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 135607119
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 3634771
(2S)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 136884144
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135679097

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The IUPAC name of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (CID 175426939) is N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is CC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Cl)c1O.
What is the InChIKey of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The InChIKey is ISVXLFXKUBJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23).
What are the key properties of N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide has a molecular weight of 335.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is sourced from PubChem (CID 175426939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).