5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide

C21H20ClN3O3 — CID 24578741

IUPAC5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESN#CC1(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C21H20ClN3O3/c22-15-8-9-18(17(12-15)20(27)24-16-6-2-1-3-7-16)28-13-19(26)25-21(14-23)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,24,27)(H,25,26)
InChIKeyIRSACLWVSUXTOK-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.92
Rot. Bonds6

About 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578741) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578741
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESN#CC1(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C21H20ClN3O3/c22-15-8-9-18(17(12-15)20(27)24-16-6-2-1-3-7-16)28-13-19(26)25-21(14-23)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,24,27)(H,25,26)
InChIKeyIRSACLWVSUXTOK-UHFFFAOYSA-N
XLogP3.92
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620571
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578790
5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578794
2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
CID 30032881
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 7838701
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
CID 24578747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide (CID 24578741) is 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide is N#CC1(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)CCCC1.
What is the InChIKey of 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is IRSACLWVSUXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-15-8-9-18(17(12-15)20(27)24-16-6-2-1-3-7-16)28-13-19(26)25-21(14-23)10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,24,27)(H,25,26).
What are the key properties of 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 397.86 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).