N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide

C16H13ClFN3O3 — CID 3299704

IUPACN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H13ClFN3O3/c17-11-1-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-12(18)3-5-13/h1-7,9,22H,8H2,(H,20,23)(H,21,24)
InChIKeyBXWIUIKSKKQHSB-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.66
Rot. Bonds5

About N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide

N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide (PubChem CID 3299704) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
PubChem CID3299704
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC NameN'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H13ClFN3O3/c17-11-1-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-12(18)3-5-13/h1-7,9,22H,8H2,(H,20,23)(H,21,24)
InChIKeyBXWIUIKSKKQHSB-UHFFFAOYSA-N
XLogP2.66
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135716005
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
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
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 135569525
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135679783

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide (CID 3299704) is N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(F)cc1)NN=Cc1cc(Cl)ccc1O.
What is the InChIKey of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The InChIKey is BXWIUIKSKKQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c17-11-1-6-14(22)10(7-11)9-19-21-16(24)8-15(23)20-13-4-2-12(18)3-5-13/h1-7,9,22H,8H2,(H,20,23)(H,21,24).
What are the key properties of N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide has a molecular weight of 349.75 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 3299704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).