4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide

C22H19FN4O3 — CID 45050282

IUPAC4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H19FN4O3/c1-30-18-12-6-15(7-13-18)14-24-27-21(28)16-8-10-17(11-9-16)25-22(29)26-20-5-3-2-4-19(20)23/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b24-14-
InChIKeyOQRJDYLGEACLNB-OYKKKHCWSA-N
MW406.42 g/mol
LogP4.24
Rot. Bonds6

About 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide

4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 45050282) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID45050282
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H19FN4O3/c1-30-18-12-6-15(7-13-18)14-24-27-21(28)16-8-10-17(11-9-16)25-22(29)26-20-5-3-2-4-19(20)23/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b24-14-
InChIKeyOQRJDYLGEACLNB-OYKKKHCWSA-N
XLogP4.24
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
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-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide
CID 134097026
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 8979924
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide (CID 45050282) is 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is OQRJDYLGEACLNB-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-30-18-12-6-15(7-13-18)14-24-27-21(28)16-8-10-17(11-9-16)25-22(29)26-20-5-3-2-4-19(20)23/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b24-14-.
What are the key properties of 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide?
4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 406.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 45050282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).