4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide

C22H25ClN2O3 — CID 55820274

IUPAC4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-22(2,28-19-13-9-16(23)10-14-19)21(27)25-18-11-7-15(8-12-18)20(26)24-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKAUBNKIQUSBTPI-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.81
Rot. Bonds6

About 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide (PubChem CID 55820274) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide
PubChem CID55820274
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C22H25ClN2O3/c1-22(2,28-19-13-9-16(23)10-14-19)21(27)25-18-11-7-15(8-12-18)20(26)24-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKAUBNKIQUSBTPI-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
3-[4-(cyclohexylcarbamoyl)anilino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 146136092
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide (CID 55820274) is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide?
The InChIKey is KAUBNKIQUSBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-22(2,28-19-13-9-16(23)10-14-19)21(27)25-18-11-7-15(8-12-18)20(26)24-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide?
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide has a molecular weight of 400.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 55820274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).