4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide

C20H22ClN3O3 — CID 75212226

IUPAC4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC2CCCCC2)o1
InChIInChI=1S/C20H22ClN3O3/c1-13-7-9-16(27-13)12-22-24-20(26)18-11-14(21)8-10-17(18)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyTYTNUNFSLXNMEU-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.07
Rot. Bonds5

About 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide

4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide (PubChem CID 75212226) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide
PubChem CID75212226
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC2CCCCC2)o1
InChIInChI=1S/C20H22ClN3O3/c1-13-7-9-16(27-13)12-22-24-20(26)18-11-14(21)8-10-17(18)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyTYTNUNFSLXNMEU-UHFFFAOYSA-N
XLogP4.07
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.07
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

4-chloro-1-N-cyclohexyl-2-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzene-1,2-dicarboxamide
CID 46703966
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
CID 2495861
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
2-(cyclohexylamino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 126386756
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide?
The IUPAC name of 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide (CID 75212226) is 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide is Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC2CCCCC2)o1.
What is the InChIKey of 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide?
The InChIKey is TYTNUNFSLXNMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-7-9-16(27-13)12-22-24-20(26)18-11-14(21)8-10-17(18)19(25)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide?
4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-cyclohexyl-2-N-[(5-methylfuran-2-yl)methylideneamino]benzene-1,2-dicarboxamide is sourced from PubChem (CID 75212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).