3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide

C16H16ClN3O3 — CID 126021065

IUPAC3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-12(10-13)16(21)19-18-11-14-4-5-15(23-14)20-6-8-22-9-7-20/h1-5,10-11H,6-9H2,(H,19,21)/b18-11-
InChIKeyPNSRDNYJJYLDCT-WQRHYEAKSA-N
MW333.78 g/mol
LogP2.53
Rot. Bonds4

About 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide

3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide (PubChem CID 126021065) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
PubChem CID126021065
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-12(10-13)16(21)19-18-11-14-4-5-15(23-14)20-6-8-22-9-7-20/h1-5,10-11H,6-9H2,(H,19,21)/b18-11-
InChIKeyPNSRDNYJJYLDCT-WQRHYEAKSA-N
XLogP2.53
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', '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

3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
2-methoxy-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126015567
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
CID 5410715
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
4-chloro-3-[5-[[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 71834892
3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
CID 1278423
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(E)-[5-(azepan-1-yl)furan-2-yl]methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126028715
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3,5-dimethoxy-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]benzamide
CID 4291595
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide (CID 126021065) is 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is PNSRDNYJJYLDCT-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-3-1-2-12(10-13)16(21)19-18-11-14-4-5-15(23-14)20-6-8-22-9-7-20/h1-5,10-11H,6-9H2,(H,19,21)/b18-11-.
What are the key properties of 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 333.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 126021065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).