3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide

C17H16Cl2N2O3 — CID 51263825

IUPAC3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)COc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-7-4-8-14(19)17(13)24-11-16(23)21(10-9-15(20)22)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,22)
InChIKeyTVQZYECXISIQIF-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.28
Rot. Bonds7

About 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide

3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide (PubChem CID 51263825) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
PubChem CID51263825
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)COc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-7-4-8-14(19)17(13)24-11-16(23)21(10-9-15(20)22)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,22)
InChIKeyTVQZYECXISIQIF-UHFFFAOYSA-N
XLogP3.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 27592198
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
CID 46644938
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55934449
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 24526575
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 37323341
3-(4-fluoro-N-[2-(2,4,5-trichlorophenoxy)acetyl]anilino)propanamide
CID 27316862
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide (CID 51263825) is 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide is NC(=O)CCN(C(=O)COc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide?
The InChIKey is TVQZYECXISIQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-7-4-8-14(19)17(13)24-11-16(23)21(10-9-15(20)22)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,22).
What are the key properties of 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide?
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide has a molecular weight of 367.23 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide is sourced from PubChem (CID 51263825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).