N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide

C16H15ClN2O3 — CID 137121413

IUPACN-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(Cl)c2O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(13-4-3-5-14(17)15(13)20)18-19-16(21)11-6-8-12(22-2)9-7-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyFMQRVLSTGWJAAO-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide

N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide (PubChem CID 137121413) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
PubChem CID137121413
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(Cl)c2O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(13-4-3-5-14(17)15(13)20)18-19-16(21)11-6-8-12(22-2)9-7-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyFMQRVLSTGWJAAO-UHFFFAOYSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.21
H-Bond Donors ≤ 52
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 N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide 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

4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide (CID 137121413) is N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=C(C)c2cccc(Cl)c2O)cc1.
What is the InChIKey of N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
The InChIKey is FMQRVLSTGWJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(13-4-3-5-14(17)15(13)20)18-19-16(21)11-6-8-12(22-2)9-7-11/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide?
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide has a molecular weight of 318.76 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 137121413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).