5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide

C25H32ClN3O3 — CID 54828074

IUPAC5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C25H32ClN3O3/c1-2-3-15-32-23-12-8-7-11-22(23)27-17-24(30)28-19-13-14-21(26)20(16-19)25(31)29-18-9-5-4-6-10-18/h7-8,11-14,16,18,27H,2-6,9-10,15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyNSICMROMAYSXHV-UHFFFAOYSA-N
MW458.00 g/mol
LogP5.63
Rot. Bonds10

About 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide

5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide (PubChem CID 54828074) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound Name5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
PubChem CID54828074
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C25H32ClN3O3/c1-2-3-15-32-23-12-8-7-11-22(23)27-17-24(30)28-19-13-14-21(26)20(16-19)25(31)29-18-9-5-4-6-10-18/h7-8,11-14,16,18,27H,2-6,9-10,15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyNSICMROMAYSXHV-UHFFFAOYSA-N
XLogP5.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.00
LogP ≤ 55.63
H-Bond Donors ≤ 53
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-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide?
The IUPAC name of 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide (CID 54828074) is 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide?
The canonical SMILES for 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide?
The InChIKey is NSICMROMAYSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-2-3-15-32-23-12-8-7-11-22(23)27-17-24(30)28-19-13-14-21(26)20(16-19)25(31)29-18-9-5-4-6-10-18/h7-8,11-14,16,18,27H,2-6,9-10,15,17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide?
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide has a molecular weight of 458.00 g/mol, XLogP of 5.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 54828074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).