N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide

C11H8ClF3N2O — CID 94285475

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
SMILESN#CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H8ClF3N2O/c12-9-4-3-7(6-8(9)11(13,14)15)17-10(18)2-1-5-16/h3-4,6H,1-2H2,(H,17,18)
InChIKeySHUWIMSVLZRUEJ-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.60
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide (PubChem CID 94285475) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
PubChem CID94285475
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
SMILESN#CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H8ClF3N2O/c12-9-4-3-7(6-8(9)11(13,14)15)17-10(18)2-1-5-16/h3-4,6H,1-2H2,(H,17,18)
InChIKeySHUWIMSVLZRUEJ-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]hex-4-ynamide
CID 2287537
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N'-hydroxyhexanediamide
CID 166633079
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
(Z)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyano-3-(2-cyanoethylamino)prop-2-enamide
CID 108859188
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,3-dimethyl-2-oxobutyl)butanediamide
CID 95753500
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CID 109013943

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide (CID 94285475) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide is N#CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide?
The InChIKey is SHUWIMSVLZRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c12-9-4-3-7(6-8(9)11(13,14)15)17-10(18)2-1-5-16/h3-4,6H,1-2H2,(H,17,18).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide has a molecular weight of 276.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide is sourced from PubChem (CID 94285475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).