N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C18H14Cl2N2O3 — CID 3752024

IUPACN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-2-24-17-13(19)7-11(8-14(17)20)10-21-22-18(23)16-9-12-5-3-4-6-15(12)25-16/h3-10H,2H2,1H3,(H,22,23)
InChIKeyHDUYGIXEMBPDBD-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.90
Rot. Bonds5

About N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 3752024) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID3752024
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC NameN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCCOc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-2-24-17-13(19)7-11(8-14(17)20)10-21-22-18(23)16-9-12-5-3-4-6-15(12)25-16/h3-10H,2H2,1H3,(H,22,23)
InChIKeyHDUYGIXEMBPDBD-UHFFFAOYSA-N
XLogP4.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide 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

methyl 2-[4-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-bromo-6-chlorophenoxy]acetate
CID 1278903
N-[(E)-(3,5-dichloro-4-prop-2-enoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126193133
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433423
N-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3419462
N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173683
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[(E)-[3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192550
5-chloro-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 1282391
N-[(E)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876463
4-[[2,6-dichloro-4-[(E)-[(5-ethoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126194050
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131398
5-chloro-N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126030679

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 3752024) is N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is CCOc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is HDUYGIXEMBPDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-2-24-17-13(19)7-11(8-14(17)20)10-21-22-18(23)16-9-12-5-3-4-6-15(12)25-16/h3-10H,2H2,1H3,(H,22,23).
What are the key properties of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3752024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).