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

C16H16BrN3O2 — CID 2824721

IUPAC2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CNc1ccccc1
InChIInChI=1S/C16H16BrN3O2/c1-22-15-8-7-13(17)9-12(15)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyGHKJKCUBROPWPS-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.02
Rot. Bonds6

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

2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 2824721) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID2824721
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)CNc1ccccc1
InChIInChI=1S/C16H16BrN3O2/c1-22-15-8-7-13(17)9-12(15)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,20,21)
InChIKeyGHKJKCUBROPWPS-UHFFFAOYSA-N
XLogP3.02
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.02
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'}

Analyze 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 3474608
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 92534259
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 4086824
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5150962
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 98097976
2-(benzotriazol-2-yl)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 5454054
N-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide (CID 2824721) is 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(Br)cc1C=NNC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GHKJKCUBROPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-22-15-8-7-13(17)9-12(15)10-19-20-16(21)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,20,21).
What are the key properties of 2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 362.23 g/mol, XLogP of 3.02, 6 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]acetamide is sourced from PubChem (CID 2824721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).