N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C16H13ClF3NO2 — CID 7934876

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-6-5-12(9-13(14)17)21-15(22)8-10-3-2-4-11(7-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeySQXBNIRLOILOGU-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.55
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7934876) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7934876
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-6-5-12(9-13(14)17)21-15(22)8-10-3-2-4-11(7-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeySQXBNIRLOILOGU-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221573
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 7934876) is N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SQXBNIRLOILOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-23-14-6-5-12(9-13(14)17)21-15(22)8-10-3-2-4-11(7-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 343.73 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7934876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).