4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid

C15H20Cl2N2O3 — CID 119134576

IUPAC4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
SMILESCCCN(CCCC(=O)O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-2-7-19(8-3-4-15(21)22)10-14(20)18-13-6-5-11(16)9-12(13)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyDGRZJXMALYRILF-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.51
Rot. Bonds9

About 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid

4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid (PubChem CID 119134576) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
PubChem CID119134576
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
SMILESCCCN(CCCC(=O)O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-2-7-19(8-3-4-15(21)22)10-14(20)18-13-6-5-11(16)9-12(13)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyDGRZJXMALYRILF-UHFFFAOYSA-N
XLogP3.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid with MolForge

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Related Compounds

2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
CID 55354113
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide
CID 112838785
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid?
The IUPAC name of 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid (CID 119134576) is 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid is CCCN(CCCC(=O)O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid?
The InChIKey is DGRZJXMALYRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-2-7-19(8-3-4-15(21)22)10-14(20)18-13-6-5-11(16)9-12(13)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid?
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid has a molecular weight of 347.24 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid is sourced from PubChem (CID 119134576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).