5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide

C17H13ClN2O3 — CID 126030334

IUPAC5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cc2cc(Cl)ccc2o1)=C\c1ccco1
InChIInChI=1S/C17H13ClN2O3/c1-11(7-14-3-2-6-22-14)10-19-20-17(21)16-9-12-8-13(18)4-5-15(12)23-16/h2-10H,1H3,(H,20,21)/b11-7+,19-10+
InChIKeyOPKJBBSMWVVJMT-WWHQGWBQSA-N
MW328.76 g/mol
LogP4.50
Rot. Bonds4

About 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide

5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide (PubChem CID 126030334) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
PubChem CID126030334
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
SMILESCC(/C=N/NC(=O)c1cc2cc(Cl)ccc2o1)=C\c1ccco1
InChIInChI=1S/C17H13ClN2O3/c1-11(7-14-3-2-6-22-14)10-19-20-17(21)16-9-12-8-13(18)4-5-15(12)23-16/h2-10H,1H3,(H,20,21)/b11-7+,19-10+
InChIKeyOPKJBBSMWVVJMT-WWHQGWBQSA-N
XLogP4.50
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.50
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'}

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
CID 129437784
2-(4-chlorophenyl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinoline-4-carboxamide
CID 1226407
5-chloro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028421
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
5-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028187
5-chloro-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137047420
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
CID 3749870
5-chloro-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126022126
2-(4-benzylpiperazin-1-yl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 1185547
N-[(E)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126028715
5-chloro-N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137150800
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide (CID 126030334) is 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is CC(/C=N/NC(=O)c1cc2cc(Cl)ccc2o1)=C\c1ccco1.
What is the InChIKey of 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The InChIKey is OPKJBBSMWVVJMT-WWHQGWBQSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-11(7-14-3-2-6-22-14)10-19-20-17(21)16-9-12-8-13(18)4-5-15(12)23-16/h2-10H,1H3,(H,20,21)/b11-7+,19-10+.
What are the key properties of 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).