N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide

C18H19ClFNO2 — CID 43024562

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12(13-5-4-6-14(19)11-13)21-17(22)18(2,3)23-16-9-7-15(20)8-10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyDLQPXXPYVRUTMI-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.51
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide

N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 43024562) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID43024562
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12(13-5-4-6-14(19)11-13)21-17(22)18(2,3)23-16-9-7-15(20)8-10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyDLQPXXPYVRUTMI-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide (CID 43024562) is N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide is CC(NC(=O)C(C)(C)Oc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is DLQPXXPYVRUTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12(13-5-4-6-14(19)11-13)21-17(22)18(2,3)23-16-9-7-15(20)8-10-16/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide?
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 335.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 43024562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).