N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide

C13H16ClF3N2O2 — CID 71857332

IUPACN-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2O2/c1-9(20)19-10-3-4-12(11(14)7-10)18-5-2-6-21-8-13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyPGJIDXQMHSQURM-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.68
Rot. Bonds7

About N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide

N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide (PubChem CID 71857332) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
PubChem CID71857332
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC NameN-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCOCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2O2/c1-9(20)19-10-3-4-12(11(14)7-10)18-5-2-6-21-8-13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyPGJIDXQMHSQURM-UHFFFAOYSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
4-chloro-2-fluoro-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 54961611
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
2,4,6-trichloro-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 63487839
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46485194
N-[4-[[3-chloro-4-[2-(dimethylamino)ethylamino]phenyl]carbamothioylamino]phenyl]acetamide
CID 15954892

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide (CID 71857332) is N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCCCOCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
The InChIKey is PGJIDXQMHSQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-9(20)19-10-3-4-12(11(14)7-10)18-5-2-6-21-8-13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide?
N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide has a molecular weight of 324.73 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide is sourced from PubChem (CID 71857332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).