N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide

C16H21ClFNO2 — CID 97218335

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCC(C)(CNC(=O)C[C@H]1CCOC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H21ClFNO2/c1-16(2,15-12(17)4-3-5-13(15)18)10-19-14(20)8-11-6-7-21-9-11/h3-5,11H,6-10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyROFIVIGHUPMFJT-LLVKDONJSA-N
MW313.80 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide

N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide (PubChem CID 97218335) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
PubChem CID97218335
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide
SMILESCC(C)(CNC(=O)C[C@H]1CCOC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H21ClFNO2/c1-16(2,15-12(17)4-3-5-13(15)18)10-19-14(20)8-11-6-7-21-9-11/h3-5,11H,6-10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyROFIVIGHUPMFJT-LLVKDONJSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102
N-[1-(2-chlorophenyl)cyclopropyl]-2-(oxolan-3-yl)acetamide
CID 122561612
4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673517
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
CID 175659475
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-(2-amino-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 110834377
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide (CID 97218335) is N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide is CC(C)(CNC(=O)C[C@H]1CCOC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide?
The InChIKey is ROFIVIGHUPMFJT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-16(2,15-12(17)4-3-5-13(15)18)10-19-14(20)8-11-6-7-21-9-11/h3-5,11H,6-10H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide?
N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide has a molecular weight of 313.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-2-[(3R)-oxolan-3-yl]acetamide is sourced from PubChem (CID 97218335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).