N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C20H17N3O3 — CID 5456365

IUPACN-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C20H17N3O3/c1-14-7-2-3-9-16(14)19(24)22-18-11-5-4-10-17(18)20(25)23-21-13-15-8-6-12-26-15/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyUWQGYWQAAJESMT-BKUYFWCQSA-N
MW347.37 g/mol
LogP3.60
Rot. Bonds5

About N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 5456365) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID5456365
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C20H17N3O3/c1-14-7-2-3-9-16(14)19(24)22-18-11-5-4-10-17(18)20(25)23-21-13-15-8-6-12-26-15/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyUWQGYWQAAJESMT-BKUYFWCQSA-N
XLogP3.60
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.60
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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Related Compounds

3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
CID 5344841
N-(3-chloro-2-methylphenyl)-4-[2-(2-furylmethylene)hydrazino]-4-oxobutanamide
CID 6876572
N-(2,3-Dimethyl-phenyl)-2-(3-furan-2-yl-6-oxo-6H-pyridazin-1-yl)-acetamide
CID 6485768
2-Chloro-N-(3-{N'-[(E)-(furan-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496207
2-Methyl-N-(3-{N'-[(E)-(5-methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496243
Benzoic acid, p-(p-chlorobenzamido)-, 2-furfurylidenehydrazide
CID 9570945
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
N-(2-ethylphenyl)-3-(2-furyl)-2-phenylacrylamide
CID 881720
3-(2-furyl)-N-(2-methylphenyl)-2-phenylacrylamide
CID 882543
3-(2-Oxo-pyrrolidin-1-yl)-benzoic acid furan-2-ylmethylene-hydrazide
CID 5331394
N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 9564917
4-fluoro-N-(2-{[2-(2-furylmethylene)hydrazino]carbonyl}phenyl)benzamide
CID 9564922

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 5456365) is N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C\c1ccco1.
What is the InChIKey of N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is UWQGYWQAAJESMT-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-7-2-3-9-16(14)19(24)22-18-11-5-4-10-17(18)20(25)23-21-13-15-8-6-12-26-15/h2-13H,1H3,(H,22,24)(H,23,25)/b21-13-.
What are the key properties of N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 347.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 5456365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).