2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide

C17H22ClNO2 — CID 110306520

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(NCC1(O)CCCC1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H22ClNO2/c18-14-7-5-13(6-8-14)15(12-3-4-12)16(20)19-11-17(21)9-1-2-10-17/h5-8,12,15,21H,1-4,9-11H2,(H,19,20)
InChIKeyWCLALNXDVNJABO-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide (PubChem CID 110306520) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
PubChem CID110306520
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(NCC1(O)CCCC1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H22ClNO2/c18-14-7-5-13(6-8-14)15(12-3-4-12)16(20)19-11-17(21)9-1-2-10-17/h5-8,12,15,21H,1-4,9-11H2,(H,19,20)
InChIKeyWCLALNXDVNJABO-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide (CID 110306520) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide is O=C(NCC1(O)CCCC1)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide?
The InChIKey is WCLALNXDVNJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c18-14-7-5-13(6-8-14)15(12-3-4-12)16(20)19-11-17(21)9-1-2-10-17/h5-8,12,15,21H,1-4,9-11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide has a molecular weight of 307.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide is sourced from PubChem (CID 110306520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).