ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate

C14H17Cl2NO3 — CID 61022668

IUPACethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-4-20-12(18)8-17(9(2)3)14(19)10-6-5-7-11(15)13(10)16/h5-7,9H,4,8H2,1-3H3
InChIKeyFRAHCPMKFLLCBY-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate

ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate (PubChem CID 61022668) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
PubChem CID61022668
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Nameethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-4-20-12(18)8-17(9(2)3)14(19)10-6-5-7-11(15)13(10)16/h5-7,9H,4,8H2,1-3H3
InChIKeyFRAHCPMKFLLCBY-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)-propan-2-ylamino]acetate
CID 61022655
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
ethyl 2-[(2-amino-4-bromobenzoyl)-propan-2-ylamino]acetate
CID 79723037
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
CID 171623851
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate (CID 61022668) is ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1cccc(Cl)c1Cl)C(C)C.
What is the InChIKey of ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is FRAHCPMKFLLCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-4-20-12(18)8-17(9(2)3)14(19)10-6-5-7-11(15)13(10)16/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate?
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 318.20 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 61022668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).