2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

C25H32ClN3O4 — CID 54833128

IUPAC2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H32ClN3O4/c1-2-32-14-15-33-21-11-8-19(9-12-21)28-24(30)17-27-20-10-13-23(26)22(16-20)25(31)29-18-6-4-3-5-7-18/h8-13,16,18,27H,2-7,14-15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyXBOOANNPWOOFOO-UHFFFAOYSA-N
MW474.00 g/mol
LogP4.87
Rot. Bonds11

About 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54833128) has the molecular formula C25H32ClN3O4 and a molecular weight of 474.00 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54833128
Molecular FormulaC25H32ClN3O4
Molecular Weight474.00 g/mol
Exact Mass473.21
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCOCCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H32ClN3O4/c1-2-32-14-15-33-21-11-8-19(9-12-21)28-24(30)17-27-20-10-13-23(26)22(16-20)25(31)29-18-6-4-3-5-7-18/h8-13,16,18,27H,2-7,14-15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyXBOOANNPWOOFOO-UHFFFAOYSA-N
XLogP4.87
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17188787
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54833273
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54833128) is 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is CCOCCOc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is XBOOANNPWOOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O4/c1-2-32-14-15-33-21-11-8-19(9-12-21)28-24(30)17-27-20-10-13-23(26)22(16-20)25(31)29-18-6-4-3-5-7-18/h8-13,16,18,27H,2-7,14-15,17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 474.00 g/mol, XLogP of 4.87, 11 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-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54833128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).