N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide

C20H17N3O3 — CID 690188

IUPACN-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C20H17N3O3/c1-14-5-2-3-7-18(14)20(25)22-16-10-8-15(9-11-16)19(24)23-21-13-17-6-4-12-26-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyUVICUSHPNVBADC-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.60
Rot. Bonds5

About N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide

N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 690188) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
PubChem CID690188
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C20H17N3O3/c1-14-5-2-3-7-18(14)20(25)22-16-10-8-15(9-11-16)19(24)23-21-13-17-6-4-12-26-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyUVICUSHPNVBADC-UHFFFAOYSA-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

N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1237415
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814

Frequently Asked Questions

What is the IUPAC name of N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide (CID 690188) is N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is UVICUSHPNVBADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-5-2-3-7-18(14)20(25)22-16-10-8-15(9-11-16)19(24)23-21-13-17-6-4-12-26-17/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[(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-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 690188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).