N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide

C19H21ClFNO2 — CID 18801058

IUPACN-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(Oc1cccc(F)c1NC(=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-12(13-8-10-14(20)11-9-13)24-16-7-5-6-15(21)17(16)22-18(23)19(2,3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyZFGBVCYKVSNBSU-UHFFFAOYSA-N
MW349.83 g/mol
LogP5.60
Rot. Bonds4

About N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide

N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 18801058) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID18801058
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC NameN-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(Oc1cccc(F)c1NC(=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFNO2/c1-12(13-8-10-14(20)11-9-13)24-16-7-5-6-15(21)17(16)22-18(23)19(2,3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyZFGBVCYKVSNBSU-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158193392
2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
2-(4-chloro-2-methylphenoxy)-N-(2,6-difluorophenyl)-2,2-difluoroacetamide
CID 1483207
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide (CID 18801058) is N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide is CC(Oc1cccc(F)c1NC(=O)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is ZFGBVCYKVSNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-12(13-8-10-14(20)11-9-13)24-16-7-5-6-15(21)17(16)22-18(23)19(2,3)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide?
N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 349.83 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18801058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).