(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine

C18H14Cl2N2OS — CID 10156413

IUPAC(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccccc1Nc1ccc(/C(=N\O)c2sccc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-4-2-3-5-16(11)21-12-6-7-13(15(20)10-12)17(22-23)18-14(19)8-9-24-18/h2-10,21,23H,1H3/b22-17+
InChIKeyNGGXHLOVMDGWCX-OQKWZONESA-N
MW377.30 g/mol
LogP6.33
Rot. Bonds4

About (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine

(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine (PubChem CID 10156413) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
PubChem CID10156413
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccccc1Nc1ccc(/C(=N\O)c2sccc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-4-2-3-5-16(11)21-12-6-7-13(15(20)10-12)17(22-23)18-14(19)8-9-24-18/h2-10,21,23H,1H3/b22-17+
InChIKeyNGGXHLOVMDGWCX-OQKWZONESA-N
XLogP6.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine (CID 10156413) is (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine is Cc1ccccc1Nc1ccc(/C(=N\O)c2sccc2Cl)c(Cl)c1.
What is the InChIKey of (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is NGGXHLOVMDGWCX-OQKWZONESA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-11-4-2-3-5-16(11)21-12-6-7-13(15(20)10-12)17(22-23)18-14(19)8-9-24-18/h2-10,21,23H,1H3/b22-17+.
What are the key properties of (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine?
(NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 377.30 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-chloro-4-(2-methylanilino)phenyl]-(3-chlorothiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 10156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).