2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide

C18H19ClFNO2 — CID 52892039

IUPAC2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-18(2,23-15-10-8-14(19)9-11-15)17(22)21(3)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3
InChIKeyXVECTGKTSDPEAF-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide

2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 52892039) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
PubChem CID52892039
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO2/c1-18(2,23-15-10-8-14(19)9-11-15)17(22)21(3)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3
InChIKeyXVECTGKTSDPEAF-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 63678464
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 154646124
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 9200072
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
CID 4688052
2-(4-chlorophenoxy)-N,N-bis(cyanomethyl)-2-methylpropanamide
CID 3645295
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-[4-[(4-chlorophenyl)-difluoromethyl]phenoxy]-2-methylpropanoic acid;2-(dimethylamino)ethanol
CID 71494567
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762705

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide (CID 52892039) is 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide is CN(Cc1ccccc1F)C(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is XVECTGKTSDPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-18(2,23-15-10-8-14(19)9-11-15)17(22)21(3)12-13-6-4-5-7-16(13)20/h4-11H,12H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide?
2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 335.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 52892039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).