2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C15H19ClFNO3 — CID 64868038

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCC1(O)CCCCC1
InChIInChI=1S/C15H19ClFNO3/c16-12-8-11(17)4-5-13(12)21-9-14(19)18-10-15(20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyBJSFEXCEFGWRRI-UHFFFAOYSA-N
MW315.77 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 64868038) has the molecular formula C15H19ClFNO3 and a molecular weight of 315.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID64868038
Molecular FormulaC15H19ClFNO3
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCC1(O)CCCCC1
InChIInChI=1S/C15H19ClFNO3/c16-12-8-11(17)4-5-13(12)21-9-14(19)18-10-15(20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyBJSFEXCEFGWRRI-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542713
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 64868038) is 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(COc1ccc(F)cc1Cl)NCC1(O)CCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is BJSFEXCEFGWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO3/c16-12-8-11(17)4-5-13(12)21-9-14(19)18-10-15(20)6-2-1-3-7-15/h4-5,8,20H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 315.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 64868038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).