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

C19H16BrN3O2 — CID 136663445

IUPAC2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16BrN3O2/c20-14-6-8-15(9-7-14)21-12-19(25)23-22-11-17-16-4-2-1-3-13(16)5-10-18(17)24/h1-11,21,24H,12H2,(H,23,25)/b22-11-
InChIKeyAPWFVYMJDKIWPU-JJFYIABZSA-N
MW398.26 g/mol
LogP3.87
Rot. Bonds5

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

2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 136663445) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID136663445
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16BrN3O2/c20-14-6-8-15(9-7-14)21-12-19(25)23-22-11-17-16-4-2-1-3-13(16)5-10-18(17)24/h1-11,21,24H,12H2,(H,23,25)/b22-11-
InChIKeyAPWFVYMJDKIWPU-JJFYIABZSA-N
XLogP3.87
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.87
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'}

Analyze 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)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

2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 4616989
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
2-(4-bromoanilino)-N-[(Z)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]acetamide
CID 126369367
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 136663445) is 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNc1ccc(Br)cc1)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is APWFVYMJDKIWPU-JJFYIABZSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-14-6-8-15(9-7-14)21-12-19(25)23-22-11-17-16-4-2-1-3-13(16)5-10-18(17)24/h1-11,21,24H,12H2,(H,23,25)/b22-11-.
What are the key properties of 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 398.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 136663445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).