N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide

C14H18ClNO2 — CID 51073080

IUPACN-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-10(12-3-2-4-13(15)9-12)16-14(17)11-5-7-18-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyHFDIFGHEOSYUBE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.94
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 51073080) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
PubChem CID51073080
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-10(12-3-2-4-13(15)9-12)16-14(17)11-5-7-18-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyHFDIFGHEOSYUBE-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)ethyl]oxane-4-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

4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide (CID 51073080) is N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide is CC(NC(=O)C1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is HFDIFGHEOSYUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(12-3-2-4-13(15)9-12)16-14(17)11-5-7-18-8-6-11/h2-4,9-11H,5-8H2,1H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 51073080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).