2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C15H20ClFN2O2 — CID 95318673

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-19(9-11-4-5-12(17)7-14(11)16)10-15(20)18-8-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyNERYIGKHKVHNMQ-CYBMUJFWSA-N
MW314.79 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 95318673) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID95318673
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-19(9-11-4-5-12(17)7-14(11)16)10-15(20)18-8-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyNERYIGKHKVHNMQ-CYBMUJFWSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 95318673) is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NERYIGKHKVHNMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-19(9-11-4-5-12(17)7-14(11)16)10-15(20)18-8-13-3-2-6-21-13/h4-5,7,13H,2-3,6,8-10H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 314.79 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).