2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide

C19H14ClN3O3 — CID 46496207

IUPAC2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide
SMILESO=C(N/N=C/c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClN3O3/c20-17-9-2-1-8-16(17)19(25)22-14-6-3-5-13(11-14)18(24)23-21-12-15-7-4-10-26-15/h1-12H,(H,22,25)(H,23,24)/b21-12+
InChIKeyAAJGTVXRCUDTNQ-CIAFOILYSA-N
MW367.79 g/mol
LogP3.95
Rot. Bonds5

About 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide

2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 46496207) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide
PubChem CID46496207
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide
SMILESO=C(N/N=C/c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClN3O3/c20-17-9-2-1-8-16(17)19(25)22-14-6-3-5-13(11-14)18(24)23-21-12-15-7-4-10-26-15/h1-12H,(H,22,25)(H,23,24)/b21-12+
InChIKeyAAJGTVXRCUDTNQ-CIAFOILYSA-N
XLogP3.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.95
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide (CID 46496207) is 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide is O=C(N/N=C/c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is AAJGTVXRCUDTNQ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-17-9-2-1-8-16(17)19(25)22-14-6-3-5-13(11-14)18(24)23-21-12-15-7-4-10-26-15/h1-12H,(H,22,25)(H,23,24)/b21-12+.
What are the key properties of 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide?
2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 367.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46496207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).