N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide

C16H15ClFN3O2 — CID 3634771

IUPACN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)NN=Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H15ClFN3O2/c1-10(20-14-5-3-13(18)4-6-14)16(23)21-19-9-11-8-12(17)2-7-15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyYOAKUEMWRKJQTO-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.14
Rot. Bonds5

About N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide (PubChem CID 3634771) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
PubChem CID3634771
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)NN=Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H15ClFN3O2/c1-10(20-14-5-3-13(18)4-6-14)16(23)21-19-9-11-8-12(17)2-7-15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyYOAKUEMWRKJQTO-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

(2S)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 136884144
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
2-(4-chloroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135957595
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3299704
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2S)-2-(4-bromoanilino)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]butanamide
CID 136757862
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide (CID 3634771) is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide is CC(Nc1ccc(F)cc1)C(=O)NN=Cc1cc(Cl)ccc1O.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide?
The InChIKey is YOAKUEMWRKJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-10(20-14-5-3-13(18)4-6-14)16(23)21-19-9-11-8-12(17)2-7-15(11)22/h2-10,20,22H,1H3,(H,21,23).
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide?
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-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-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide is sourced from PubChem (CID 3634771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).