[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C23H25ClN2O4 — CID 3490958

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(21(28)26-20-11-9-19(10-12-20)25-16(2)27)30-22(29)23(13-3-4-14-23)17-5-7-18(24)8-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVCTRPPSYNSLYIN-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.68
Rot. Bonds6

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 3490958) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID3490958
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(21(28)26-20-11-9-19(10-12-20)25-16(2)27)30-22(29)23(13-3-4-14-23)17-5-7-18(24)8-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVCTRPPSYNSLYIN-UHFFFAOYSA-N
XLogP4.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2375779
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 4131649
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[1-(3-Chloroanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 3650521
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2521010
1-[(4-Fluorophenyl)carbamoyl]ethyl 2-(4-chlorophenyl)acetate
CID 78536053

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 3490958) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is VCTRPPSYNSLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-15(21(28)26-20-11-9-19(10-12-20)25-16(2)27)30-22(29)23(13-3-4-14-23)17-5-7-18(24)8-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 428.92 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 3490958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).