ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate

C18H17Cl2NO3 — CID 90470373

IUPACethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-17(22)10-11-21(14-8-9-15(19)16(20)12-14)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyNHWFXKLJVWHVKH-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.59
Rot. Bonds6

About ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate

ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate (PubChem CID 90470373) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
PubChem CID90470373
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Nameethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-17(22)10-11-21(14-8-9-15(19)16(20)12-14)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKeyNHWFXKLJVWHVKH-UHFFFAOYSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate 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

ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 3-(N-[3-amino-4-(methylamino)benzoyl]anilino)propanoate
CID 18412328
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571
ethyl 3-(N-(3-ethoxy-3-oxopropyl)anilino)-3-oxopropanoate
CID 146459338
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
CID 18432
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-3-ylamino]propanoate
CID 163203141
ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-2-(3,4-dichlorophenyl)propanoate
CID 68870481
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76929626

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate?
The IUPAC name of ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate (CID 90470373) is ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate.
What is the SMILES notation for ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate?
The canonical SMILES for ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate is CCOC(=O)CCN(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate?
The InChIKey is NHWFXKLJVWHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-24-17(22)10-11-21(14-8-9-15(19)16(20)12-14)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3.
What are the key properties of ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate?
ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate has a molecular weight of 366.24 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate is sourced from PubChem (CID 90470373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).