2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

C26H32ClN3O4 — CID 54833273

IUPAC2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C26H32ClN3O4/c27-24-13-10-20(15-23(24)26(32)30-18-5-2-1-3-6-18)28-16-25(31)29-19-8-11-21(12-9-19)34-17-22-7-4-14-33-22/h8-13,15,18,22,28H,1-7,14,16-17H2,(H,29,31)(H,30,32)
InChIKeyKWDNGJXXBOHRAY-UHFFFAOYSA-N
MW486.01 g/mol
LogP5.01
Rot. Bonds9

About 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54833273) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54833273
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C26H32ClN3O4/c27-24-13-10-20(15-23(24)26(32)30-18-5-2-1-3-6-18)28-16-25(31)29-19-8-11-21(12-9-19)34-17-22-7-4-14-33-22/h8-13,15,18,22,28H,1-7,14,16-17H2,(H,29,31)(H,30,32)
InChIKeyKWDNGJXXBOHRAY-UHFFFAOYSA-N
XLogP5.01
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.01
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide with MolForge

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833128
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
N-[4-chloro-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54821559
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54833273) is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is O=C(CNc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is KWDNGJXXBOHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O4/c27-24-13-10-20(15-23(24)26(32)30-18-5-2-1-3-6-18)28-16-25(31)29-19-8-11-21(12-9-19)34-17-22-7-4-14-33-22/h8-13,15,18,22,28H,1-7,14,16-17H2,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 486.01 g/mol, XLogP of 5.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54833273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).