(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C20H18ClNO2 — CID 3344195

IUPAC(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESN#Cc1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H18ClNO2/c21-18-9-7-17(8-10-18)20(11-1-2-12-20)19(23)24-14-16-5-3-15(13-22)4-6-16/h3-10H,1-2,11-12,14H2
InChIKeyQRDXSFPJVPLGLX-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.77
Rot. Bonds4

About (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 3344195) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID3344195
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESN#Cc1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H18ClNO2/c21-18-9-7-17(8-10-18)20(11-1-2-12-20)19(23)24-14-16-5-3-15(13-22)4-6-16/h3-10H,1-2,11-12,14H2
InChIKeyQRDXSFPJVPLGLX-UHFFFAOYSA-N
XLogP4.77
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 3344195) is (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is N#Cc1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QRDXSFPJVPLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-18-9-7-17(8-10-18)20(11-1-2-12-20)19(23)24-14-16-5-3-15(13-22)4-6-16/h3-10H,1-2,11-12,14H2.
What are the key properties of (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
(4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 3344195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).