N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C21H17N3O3 — CID 126003105

IUPACN-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C21H17N3O3/c25-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(26)24-22-15-17-9-6-14-27-17/h1-15H,(H,23,25)(H,24,26)/b13-12+,22-15-
InChIKeyIFIHLMRODITEDN-NQMXVTNKSA-N
MW359.39 g/mol
LogP3.70
Rot. Bonds6

About N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 126003105) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID126003105
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C21H17N3O3/c25-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(26)24-22-15-17-9-6-14-27-17/h1-15H,(H,23,25)(H,24,26)/b13-12+,22-15-
InChIKeyIFIHLMRODITEDN-NQMXVTNKSA-N
XLogP3.70
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1237415
2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126006946
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
[2-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126003248
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 126003105) is N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C\c1ccco1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is IFIHLMRODITEDN-NQMXVTNKSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(26)24-22-15-17-9-6-14-27-17/h1-15H,(H,23,25)(H,24,26)/b13-12+,22-15-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 126003105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).