2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H16ClN3O2 — CID 4616989

IUPAC2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-14-5-3-6-15(10-14)21-12-19(25)23-22-11-17-16-7-2-1-4-13(16)8-9-18(17)24/h1-11,21,24H,12H2,(H,23,25)
InChIKeyWIMHFFYFKGSYDE-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 4616989) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID4616989
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-14-5-3-6-15(10-14)21-12-19(25)23-22-11-17-16-7-2-1-4-13(16)8-9-18(17)24/h1-11,21,24H,12H2,(H,23,25)
InChIKeyWIMHFFYFKGSYDE-UHFFFAOYSA-N
XLogP3.76
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.76
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-(3-chloroanilino)-N-[(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

N-(3-chlorophenyl)-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3269518
2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136663445
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide
CID 127024523
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
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
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135738463
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 4616989) is 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is WIMHFFYFKGSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-5-3-6-15(10-14)21-12-19(25)23-22-11-17-16-7-2-1-4-13(16)8-9-18(17)24/h1-11,21,24H,12H2,(H,23,25).
What are the key properties of 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 353.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 4616989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).