2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide

C22H22BrN3O2 — CID 126369367

IUPAC2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O2/c1-15(2)28-21-12-7-16-5-3-4-6-19(16)20(21)13-25-26-22(27)14-24-18-10-8-17(23)9-11-18/h3-13,15,24H,14H2,1-2H3,(H,26,27)/b25-13-
InChIKeyYOHLLJCKADYXPW-MXAYSNPKSA-N
MW440.34 g/mol
LogP4.95
Rot. Bonds7

About 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 126369367) has the molecular formula C22H22BrN3O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID126369367
Molecular FormulaC22H22BrN3O2
Molecular Weight440.34 g/mol
Exact Mass439.09
IUPAC Name2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O2/c1-15(2)28-21-12-7-16-5-3-4-6-19(16)20(21)13-25-26-22(27)14-24-18-10-8-17(23)9-11-18/h3-13,15,24H,14H2,1-2H3,(H,26,27)/b25-13-
InChIKeyYOHLLJCKADYXPW-MXAYSNPKSA-N
XLogP4.95
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 54.95
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

2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136663445
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
2-(4-methylphenyl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126370475
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126371471
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
CID 94836370
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763312

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide (CID 126369367) is 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide is CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is YOHLLJCKADYXPW-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H22BrN3O2/c1-15(2)28-21-12-7-16-5-3-4-6-19(16)20(21)13-25-26-22(27)14-24-18-10-8-17(23)9-11-18/h3-13,15,24H,14H2,1-2H3,(H,26,27)/b25-13-.
What are the key properties of 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 440.34 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 126369367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).