ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate

C14H16Cl2N2O4 — CID 9115326

IUPACethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-3-18(8-12(19)17-14(21)22-4-2)13(20)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,19,21)
InChIKeyUAPUBQANRCFSKZ-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.73
Rot. Bonds5

About ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate

ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate (PubChem CID 9115326) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
PubChem CID9115326
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Nameethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-3-18(8-12(19)17-14(21)22-4-2)13(20)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,19,21)
InChIKeyUAPUBQANRCFSKZ-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
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ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
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ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
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ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
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CID 55342013
ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
CID 9208190
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
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ethyl 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
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CID 38794518

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate (CID 9115326) is ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate?
The InChIKey is UAPUBQANRCFSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-3-18(8-12(19)17-14(21)22-4-2)13(20)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H,17,19,21).
What are the key properties of ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate?
ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate has a molecular weight of 347.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate is sourced from PubChem (CID 9115326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).