2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

C19H23ClN4O2 — CID 136896528

IUPAC2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2Cl)c(O)c1
InChIInChI=1S/C19H23ClN4O2/c1-3-24(4-2)15-10-9-14(18(25)11-15)12-22-23-19(26)13-21-17-8-6-5-7-16(17)20/h5-12,21,25H,3-4,13H2,1-2H3,(H,23,26)/b22-12-
InChIKeyNGUSTPUAZURJCM-UUYOSTAYSA-N
MW374.87 g/mol
LogP3.45
Rot. Bonds8

About 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 136896528) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID136896528
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2Cl)c(O)c1
InChIInChI=1S/C19H23ClN4O2/c1-3-24(4-2)15-10-9-14(18(25)11-15)12-22-23-19(26)13-21-17-8-6-5-7-16(17)20/h5-12,21,25H,3-4,13H2,1-2H3,(H,23,26)/b22-12-
InChIKeyNGUSTPUAZURJCM-UUYOSTAYSA-N
XLogP3.45
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560101
N-(2-chlorophenyl)-N'-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]butanediamide
CID 5241480
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 136816632
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450
2-(2-chlorophenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560550
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 135647094
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 136896528) is 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is NGUSTPUAZURJCM-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-3-24(4-2)15-10-9-14(18(25)11-15)12-22-23-19(26)13-21-17-8-6-5-7-16(17)20/h5-12,21,25H,3-4,13H2,1-2H3,(H,23,26)/b22-12-.
What are the key properties of 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 136896528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).