N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide

C21H16ClFN4O2 — CID 134097026

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C21H16ClFN4O2/c22-17-6-2-1-5-15(17)13-24-27-20(28)14-9-11-16(12-10-14)25-21(29)26-19-8-4-3-7-18(19)23/h1-13H,(H,27,28)(H2,25,26,29)/b24-13+
InChIKeyHRIUWXZKOAHMIL-ZMOGYAJESA-N
MW410.84 g/mol
LogP4.89
Rot. Bonds5

About N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide

N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide (PubChem CID 134097026) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide
PubChem CID134097026
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C21H16ClFN4O2/c22-17-6-2-1-5-15(17)13-24-27-20(28)14-9-11-16(12-10-14)25-21(29)26-19-8-4-3-7-18(19)23/h1-13H,(H,27,28)(H2,25,26,29)/b24-13+
InChIKeyHRIUWXZKOAHMIL-ZMOGYAJESA-N
XLogP4.89
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[(2-fluorophenyl)carbamoylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
CID 45050282
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide (CID 134097026) is N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide is O=C(Nc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)Nc1ccccc1F.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide?
The InChIKey is HRIUWXZKOAHMIL-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c22-17-6-2-1-5-15(17)13-24-27-20(28)14-9-11-16(12-10-14)25-21(29)26-19-8-4-3-7-18(19)23/h1-13H,(H,27,28)(H2,25,26,29)/b24-13+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide has a molecular weight of 410.84 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 134097026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).