N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide

C18H24ClNO3 — CID 110014293

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1O
InChIInChI=1S/C18H24ClNO3/c19-14-6-4-13(5-7-14)18(8-10-23-11-9-18)12-20-17(22)15-2-1-3-16(15)21/h4-7,15-16,21H,1-3,8-12H2,(H,20,22)
InChIKeyPZICRCNFEKEWOU-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.67
Rot. Bonds4

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014293) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014293
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1O
InChIInChI=1S/C18H24ClNO3/c19-14-6-4-13(5-7-14)18(8-10-23-11-9-18)12-20-17(22)15-2-1-3-16(15)21/h4-7,15-16,21H,1-3,8-12H2,(H,20,22)
InChIKeyPZICRCNFEKEWOU-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-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

Related Compounds

1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]buta-2,3-dienamide
CID 176519551
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927834
cis-(1S,2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687337
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110014293) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1O.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is PZICRCNFEKEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c19-14-6-4-13(5-7-14)18(8-10-23-11-9-18)12-20-17(22)15-2-1-3-16(15)21/h4-7,15-16,21H,1-3,8-12H2,(H,20,22).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).