N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide

C18H18ClNO3 — CID 112820322

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1(O)CCCC1
InChIInChI=1S/C18H18ClNO3/c19-15-5-1-2-6-16(15)23-14-9-7-13(8-10-14)20-17(21)18(22)11-3-4-12-18/h1-2,5-10,22H,3-4,11-12H2,(H,20,21)
InChIKeyQJLRHVAFPVDSDU-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.38
Rot. Bonds4

About N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 112820322) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID112820322
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1(O)CCCC1
InChIInChI=1S/C18H18ClNO3/c19-15-5-1-2-6-16(15)23-14-9-7-13(8-10-14)20-17(21)18(22)11-3-4-12-18/h1-2,5-10,22H,3-4,11-12H2,(H,20,21)
InChIKeyQJLRHVAFPVDSDU-UHFFFAOYSA-N
XLogP4.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide (CID 112820322) is N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1(O)CCCC1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is QJLRHVAFPVDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-5-1-2-6-16(15)23-14-9-7-13(8-10-14)20-17(21)18(22)11-3-4-12-18/h1-2,5-10,22H,3-4,11-12H2,(H,20,21).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 112820322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).