ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate

C18H17Cl2NO3 — CID 100589864

IUPACethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)15-9-8-14(11-16(15)20)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-4,6-9,11H,2,5,10H2,1H3,(H,21,22)
InChIKeyRMPKLNUNUGAJBQ-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.74
Rot. Bonds6

About ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate

ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate (PubChem CID 100589864) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
PubChem CID100589864
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Nameethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)15-9-8-14(11-16(15)20)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-4,6-9,11H,2,5,10H2,1H3,(H,21,22)
InChIKeyRMPKLNUNUGAJBQ-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100770883
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
CID 100700181
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 2-chloro-4-[[(2R)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 28633008
ethyl 2-chloro-4-[[2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 100724822
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate (CID 100589864) is ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate?
The InChIKey is RMPKLNUNUGAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-24-18(23)15-9-8-14(11-16(15)20)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-4,6-9,11H,2,5,10H2,1H3,(H,21,22).
What are the key properties of ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate?
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate has a molecular weight of 366.24 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate is sourced from PubChem (CID 100589864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).