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

C16H10ClF3N2O — CID 24534784

IUPACN-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C16H10ClF3N2O/c17-14-8-13(6-3-11(14)9-21)22-15(23)7-10-1-4-12(5-2-10)16(18,19)20/h1-6,8H,7H2,(H,22,23)
InChIKeyCDKMUISYYHHDTO-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.41
Rot. Bonds3

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

N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24534784) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24534784
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C16H10ClF3N2O/c17-14-8-13(6-3-11(14)9-21)22-15(23)7-10-1-4-12(5-2-10)16(18,19)20/h1-6,8H,7H2,(H,22,23)
InChIKeyCDKMUISYYHHDTO-UHFFFAOYSA-N
XLogP4.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767405
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 139430925
2,2,2-trifluoroethyl N-(3-chloro-4-cyanophenyl)carbamate
CID 43168455
3-tert-butylsulfonyl-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 71660208
N-(3-chloro-4-cyanophenyl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55755436
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2,2,2-trifluoroethyl N-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]carbamate
CID 60560770
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide
CID 25094855

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 24534784) is N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide is N#Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CDKMUISYYHHDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-14-8-13(6-3-11(14)9-21)22-15(23)7-10-1-4-12(5-2-10)16(18,19)20/h1-6,8H,7H2,(H,22,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 338.72 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24534784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).