N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

C16H15BrFN3O2 — CID 175426870

IUPACN-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1c(O)cccc1Br
InChIInChI=1S/C16H15BrFN3O2/c1-10(20-12-5-2-4-11(18)8-12)16(23)21-19-9-13-14(17)6-3-7-15(13)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyCYOZQTLTGAMMGU-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.24
Rot. Bonds5

About N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (PubChem CID 175426870) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
PubChem CID175426870
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC NameN-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1c(O)cccc1Br
InChIInChI=1S/C16H15BrFN3O2/c1-10(20-12-5-2-4-11(18)8-12)16(23)21-19-9-13-14(17)6-3-7-15(13)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyCYOZQTLTGAMMGU-UHFFFAOYSA-N
XLogP3.24
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.24
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-[(3-chloro-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
CID 175426939
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 75539036
2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
CID 168875853
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
N-[(2,3-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)butanamide
CID 168875871
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2R)-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136720623
(2S)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136851962

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The IUPAC name of N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (CID 175426870) is N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is CC(Nc1cccc(F)c1)C(=O)NN=Cc1c(O)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The InChIKey is CYOZQTLTGAMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-10(20-12-5-2-4-11(18)8-12)16(23)21-19-9-13-14(17)6-3-7-15(13)22/h2-10,20,22H,1H3,(H,21,23).
What are the key properties of N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide has a molecular weight of 380.22 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is sourced from PubChem (CID 175426870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).