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

C16H15ClFNO2 — CID 3624933

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-11-8-13(17)4-7-15(11)21-10-16(20)19-9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyJMAMUYBYHQKWNM-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.48
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3624933) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID3624933
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-11-8-13(17)4-7-15(11)21-10-16(20)19-9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyJMAMUYBYHQKWNM-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(4-chloro-2-methylphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 55729405
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 55945767
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide (CID 3624933) is 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is JMAMUYBYHQKWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-11-8-13(17)4-7-15(11)21-10-16(20)19-9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 307.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3624933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).