2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide

C18H20BrN3O2 — CID 3535801

IUPAC2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccccc1)C(=O)NN=Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H20BrN3O2/c1-3-16(21-15-7-5-4-6-8-15)18(23)22-20-12-13-11-14(19)9-10-17(13)24-2/h4-12,16,21H,3H2,1-2H3,(H,22,23)
InChIKeyLONWBWZMOGPRBP-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.80
Rot. Bonds7

About 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide

2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide (PubChem CID 3535801) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
PubChem CID3535801
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccccc1)C(=O)NN=Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H20BrN3O2/c1-3-16(21-15-7-5-4-6-8-15)18(23)22-20-12-13-11-14(19)9-10-17(13)24-2/h4-12,16,21H,3H2,1-2H3,(H,22,23)
InChIKeyLONWBWZMOGPRBP-UHFFFAOYSA-N
XLogP3.80
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
CID 770506
2-(4-bromoanilino)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 3810139
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135822355
(2S)-2-(4-bromoanilino)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]butanamide
CID 6989360
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
CID 5168046
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloroanilino)butanamide
CID 4151265
2-(4-bromoanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135716436
(2R)-2-(4-bromoanilino)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 136757858
2-(4-bromoanilino)-N-[(2-fluorophenyl)methylideneamino]butanamide
CID 3470743

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide (CID 3535801) is 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide is CCC(Nc1ccccc1)C(=O)NN=Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide?
The InChIKey is LONWBWZMOGPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-3-16(21-15-7-5-4-6-8-15)18(23)22-20-12-13-11-14(19)9-10-17(13)24-2/h4-12,16,21H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide?
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide has a molecular weight of 390.28 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 3535801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).