3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C13H11ClN2O2 — CID 5404639

IUPAC3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)8-15-16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyGKDLEFNBAFQSAZ-NVNXTCNLSA-N
MW262.70 g/mol
LogP3.01
Rot. Bonds3

About 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 5404639) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID5404639
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)8-15-16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8-
InChIKeyGKDLEFNBAFQSAZ-NVNXTCNLSA-N
XLogP3.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 947650
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-chloro-3-[5-[[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 71834892
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 5404639) is 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is GKDLEFNBAFQSAZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-5-6-12(18-9)8-15-16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8-.
What are the key properties of 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 262.70 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5404639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).