N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide

C18H20F2N2O3 — CID 55908461

IUPACN-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O3/c1-11(25-14-7-5-13(24-4)6-8-14)18(23)21-12-9-15(19)17(22(2)3)16(20)10-12/h5-11H,1-4H3,(H,21,23)
InChIKeyYDQYZYJTBOBVFN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.45
Rot. Bonds6

About N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide

N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 55908461) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID55908461
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC NameN-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O3/c1-11(25-14-7-5-13(24-4)6-8-14)18(23)21-12-9-15(19)17(22(2)3)16(20)10-12/h5-11H,1-4H3,(H,21,23)
InChIKeyYDQYZYJTBOBVFN-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide 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

N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
(2R)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652623
(2S)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652621
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide (CID 55908461) is N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is YDQYZYJTBOBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-11(25-14-7-5-13(24-4)6-8-14)18(23)21-12-9-15(19)17(22(2)3)16(20)10-12/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide?
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 350.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55908461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).