2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide

C17H15ClFNO3 — CID 17401947

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(21)15-8-14(19)6-7-16(15)23-10-17(22)20-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIOBCYCPIDGIAFK-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide

2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 17401947) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID17401947
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFNO3/c1-11(21)15-8-14(19)6-7-16(15)23-10-17(22)20-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIOBCYCPIDGIAFK-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
CID 112774632
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 55844046
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide (CID 17401947) is 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is IOBCYCPIDGIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-11(21)15-8-14(19)6-7-16(15)23-10-17(22)20-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 335.76 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 17401947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).