2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide

C28H29ClN2O4 — CID 17188518

IUPAC2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C28H29ClN2O4/c29-26-16-13-22(19-25(26)28(33)30-21-7-3-1-4-8-21)31-27(32)20-11-14-24(15-12-20)35-18-17-34-23-9-5-2-6-10-23/h2,5-6,9-16,19,21H,1,3-4,7-8,17-18H2,(H,30,33)(H,31,32)
InChIKeyRAWUZPUCJOWJKD-UHFFFAOYSA-N
MW493.00 g/mol
LogP6.11
Rot. Bonds9

About 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 17188518) has the molecular formula C28H29ClN2O4 and a molecular weight of 493.00 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID17188518
Molecular FormulaC28H29ClN2O4
Molecular Weight493.00 g/mol
Exact Mass492.18
IUPAC Name2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C28H29ClN2O4/c29-26-16-13-22(19-25(26)28(33)30-21-7-3-1-4-8-21)31-27(32)20-11-14-24(15-12-20)35-18-17-34-23-9-5-2-6-10-23/h2,5-6,9-16,19,21H,1,3-4,7-8,17-18H2,(H,30,33)(H,31,32)
InChIKeyRAWUZPUCJOWJKD-UHFFFAOYSA-N
XLogP6.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17188787
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclohexyl-5-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833128
2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 17188518) is 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is RAWUZPUCJOWJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O4/c29-26-16-13-22(19-25(26)28(33)30-21-7-3-1-4-8-21)31-27(32)20-11-14-24(15-12-20)35-18-17-34-23-9-5-2-6-10-23/h2,5-6,9-16,19,21H,1,3-4,7-8,17-18H2,(H,30,33)(H,31,32).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 493.00 g/mol, XLogP of 6.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17188518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).