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

C15H12ClF2NO2 — CID 9427637

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2NO2/c16-13-7-12(18)5-6-14(13)21-9-15(20)19-8-10-1-3-11(17)4-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyQQVSJDNQUOSRDN-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.31
Rot. Bonds5

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

2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9427637) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9427637
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C15H12ClF2NO2/c16-13-7-12(18)5-6-14(13)21-9-15(20)19-8-10-1-3-11(17)4-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyQQVSJDNQUOSRDN-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
4-[4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247252
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide (CID 9427637) is 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide is O=C(COc1ccc(F)cc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QQVSJDNQUOSRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-13-7-12(18)5-6-14(13)21-9-15(20)19-8-10-1-3-11(17)4-2-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 311.72 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9427637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).