2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

C24H28ClN3O3 — CID 54824326

IUPAC2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H28ClN3O3/c1-2-14-31-22-11-7-6-10-21(22)26-16-23(29)27-18-12-13-20(25)19(15-18)24(30)28-17-8-4-3-5-9-17/h2,6-7,10-13,15,17,26H,1,3-5,8-9,14,16H2,(H,27,29)(H,28,30)
InChIKeyUFLMNBQIAKAUEF-UHFFFAOYSA-N
MW441.96 g/mol
LogP5.02
Rot. Bonds9

About 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54824326) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54824326
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H28ClN3O3/c1-2-14-31-22-11-7-6-10-21(22)26-16-23(29)27-18-12-13-20(25)19(15-18)24(30)28-17-8-4-3-5-9-17/h2,6-7,10-13,15,17,26H,1,3-5,8-9,14,16H2,(H,27,29)(H,28,30)
InChIKeyUFLMNBQIAKAUEF-UHFFFAOYSA-N
XLogP5.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-chloro-N-cyclohexyl-5-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
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-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54824326) is 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is UFLMNBQIAKAUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-2-14-31-22-11-7-6-10-21(22)26-16-23(29)27-18-12-13-20(25)19(15-18)24(30)28-17-8-4-3-5-9-17/h2,6-7,10-13,15,17,26H,1,3-5,8-9,14,16H2,(H,27,29)(H,28,30).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide has a molecular weight of 441.96 g/mol, XLogP of 5.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54824326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).