2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide

C15H21ClFNO3 — CID 111662700

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
SMILESCC(C)COCC(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO3/c1-10(2)8-21-9-11(19)7-18-15(20)6-12-13(16)4-3-5-14(12)17/h3-5,10-11,19H,6-9H2,1-2H3,(H,18,20)
InChIKeyFNMGLTNSMMALRC-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.17
Rot. Bonds8

About 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide (PubChem CID 111662700) has the molecular formula C15H21ClFNO3 and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
PubChem CID111662700
Molecular FormulaC15H21ClFNO3
Molecular Weight317.79 g/mol
Exact Mass317.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
SMILESCC(C)COCC(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO3/c1-10(2)8-21-9-11(19)7-18-15(20)6-12-13(16)4-3-5-14(12)17/h3-5,10-11,19H,6-9H2,1-2H3,(H,18,20)
InChIKeyFNMGLTNSMMALRC-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 46540918
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
2-(2-chloro-6-fluorophenyl)-N-(5-chloro-4-methylpentyl)acetamide
CID 106156758
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide (CID 111662700) is 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide is CC(C)COCC(O)CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide?
The InChIKey is FNMGLTNSMMALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO3/c1-10(2)8-21-9-11(19)7-18-15(20)6-12-13(16)4-3-5-14(12)17/h3-5,10-11,19H,6-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide has a molecular weight of 317.79 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide is sourced from PubChem (CID 111662700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).