N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide

C16H16N2O3 — CID 137118645

IUPACN-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cccc(C(C)=NNC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16N2O3/c1-11(13-9-6-10-14(21-2)15(13)19)17-18-16(20)12-7-4-3-5-8-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyCOQMRWHSAMMMDB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide

N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 137118645) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
PubChem CID137118645
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1cccc(C(C)=NNC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16N2O3/c1-11(13-9-6-10-14(21-2)15(13)19)17-18-16(20)12-7-4-3-5-8-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyCOQMRWHSAMMMDB-UHFFFAOYSA-N
XLogP2.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.55
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-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide 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-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
CID 164702541
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
CID 136783093
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (CID 137118645) is N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is COc1cccc(C(C)=NNC(=O)c2ccccc2)c1O.
What is the InChIKey of N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is COQMRWHSAMMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(13-9-6-10-14(21-2)15(13)19)17-18-16(20)12-7-4-3-5-8-12/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 284.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137118645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).