2-chloro-N-(4-phenyloxan-4-yl)propanamide

C14H18ClNO2 — CID 146086050

IUPAC2-chloro-N-(4-phenyloxan-4-yl)propanamide
SMILESCC(Cl)C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(17)16-14(7-9-18-10-8-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyFQEYKPUNAMSQTB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-N-(4-phenyloxan-4-yl)propanamide

2-chloro-N-(4-phenyloxan-4-yl)propanamide (PubChem CID 146086050) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-(4-phenyloxan-4-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenyloxan-4-yl)propanamide
PubChem CID146086050
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-N-(4-phenyloxan-4-yl)propanamide
SMILESCC(Cl)C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(17)16-14(7-9-18-10-8-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyFQEYKPUNAMSQTB-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenyloxan-4-yl)propanamide?
The IUPAC name of 2-chloro-N-(4-phenyloxan-4-yl)propanamide (CID 146086050) is 2-chloro-N-(4-phenyloxan-4-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-phenyloxan-4-yl)propanamide?
The canonical SMILES for 2-chloro-N-(4-phenyloxan-4-yl)propanamide is CC(Cl)C(=O)NC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-chloro-N-(4-phenyloxan-4-yl)propanamide?
The InChIKey is FQEYKPUNAMSQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11(15)13(17)16-14(7-9-18-10-8-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-phenyloxan-4-yl)propanamide?
2-chloro-N-(4-phenyloxan-4-yl)propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenyloxan-4-yl)propanamide is sourced from PubChem (CID 146086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).