2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide

C16H21ClFNO2 — CID 91915467

IUPAC2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCOC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H21ClFNO2/c1-2-7-19(10-12-6-8-21-11-12)16(20)9-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3
InChIKeyORYBHQCCTJODQW-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide

2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide (PubChem CID 91915467) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
PubChem CID91915467
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCOC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H21ClFNO2/c1-2-7-19(10-12-6-8-21-11-12)16(20)9-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3
InChIKeyORYBHQCCTJODQW-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide (CID 91915467) is 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide is CCCN(CC1CCOC1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The InChIKey is ORYBHQCCTJODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-2-7-19(10-12-6-8-21-11-12)16(20)9-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide has a molecular weight of 313.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 91915467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).