2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide

C27H27ClN2O3 — CID 17188486

IUPAC2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H27ClN2O3/c28-25-16-13-22(17-24(25)27(32)30-21-9-5-2-6-10-21)29-26(31)18-33-23-14-11-20(12-15-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18H2,(H,29,31)(H,30,32)
InChIKeySSEUSXQWNAYKPZ-UHFFFAOYSA-N
MW462.98 g/mol
LogP6.09
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide (PubChem CID 17188486) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
PubChem CID17188486
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H27ClN2O3/c28-25-16-13-22(17-24(25)27(32)30-21-9-5-2-6-10-21)29-26(31)18-33-23-14-11-20(12-15-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18H2,(H,29,31)(H,30,32)
InChIKeySSEUSXQWNAYKPZ-UHFFFAOYSA-N
XLogP6.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
CID 55804856
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide (CID 17188486) is 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide is O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The InChIKey is SSEUSXQWNAYKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c28-25-16-13-22(17-24(25)27(32)30-21-9-5-2-6-10-21)29-26(31)18-33-23-14-11-20(12-15-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18H2,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide has a molecular weight of 462.98 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17188486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).