N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide

C19H20Cl2N2O3 — CID 18870351

IUPACN-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-19(2,3)18(25)23-14-5-4-6-16(10-14)26-11-17(24)22-15-8-12(20)7-13(21)9-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyASTYLISABMFJLB-UHFFFAOYSA-N
MW395.29 g/mol
LogP5.00
Rot. Bonds5

About N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide

N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide (PubChem CID 18870351) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
PubChem CID18870351
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-19(2,3)18(25)23-14-5-4-6-16(10-14)26-11-17(24)22-15-8-12(20)7-13(21)9-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyASTYLISABMFJLB-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 9321704
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
(3,5-dimethylphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870412
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
(4-bromophenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870358
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide (CID 18870351) is N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ASTYLISABMFJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-19(2,3)18(25)23-14-5-4-6-16(10-14)26-11-17(24)22-15-8-12(20)7-13(21)9-15/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide has a molecular weight of 395.29 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18870351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).