N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

C16H11ClF3N3O2 — CID 31774526

IUPACN-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESN#Cc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-14-7-12(5-4-10(14)8-21)23-15(24)9-22-11-2-1-3-13(6-11)25-16(18,19)20/h1-7,22H,9H2,(H,23,24)
InChIKeyWWGPABJNKZIMCG-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.16
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 31774526) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID31774526
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESN#Cc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-14-7-12(5-4-10(14)8-21)23-15(24)9-22-11-2-1-3-13(6-11)25-16(18,19)20/h1-7,22H,9H2,(H,23,24)
InChIKeyWWGPABJNKZIMCG-UHFFFAOYSA-N
XLogP4.16
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31775100
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (CID 31774526) is N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is N#Cc1ccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is WWGPABJNKZIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-14-7-12(5-4-10(14)8-21)23-15(24)9-22-11-2-1-3-13(6-11)25-16(18,19)20/h1-7,22H,9H2,(H,23,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 369.73 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 31774526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).