N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C14H17ClF3NO2 — CID 107492222

IUPACN-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCCl)CC(F)(F)F)cc1
InChIInChI=1S/C14H17ClF3NO2/c1-21-12-5-2-11(3-6-12)4-7-13(20)19(9-8-15)10-14(16,17)18/h2-3,5-6H,4,7-10H2,1H3
InChIKeyKNPHAXPVXFNGSJ-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.26
Rot. Bonds7

About N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107492222) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107492222
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC NameN-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCCl)CC(F)(F)F)cc1
InChIInChI=1S/C14H17ClF3NO2/c1-21-12-5-2-11(3-6-12)4-7-13(20)19(9-8-15)10-14(16,17)18/h2-3,5-6H,4,7-10H2,1H3
InChIKeyKNPHAXPVXFNGSJ-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492086
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 107492222) is N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is COc1ccc(CCC(=O)N(CCCl)CC(F)(F)F)cc1.
What is the InChIKey of N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KNPHAXPVXFNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c1-21-12-5-2-11(3-6-12)4-7-13(20)19(9-8-15)10-14(16,17)18/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 323.74 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107492222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).