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

C12H14Cl2N2O3 — CID 108573417

IUPACethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-2-19-12(18)16-6-5-15-11(17)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeySWRBGGHFXDCCMI-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.47
Rot. Bonds5

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

ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate (PubChem CID 108573417) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
PubChem CID108573417
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Nameethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-2-19-12(18)16-6-5-15-11(17)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeySWRBGGHFXDCCMI-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate 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 4-[2-[(2,5-dichlorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108573410
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
CID 9115326

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate (CID 108573417) is ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate?
The InChIKey is SWRBGGHFXDCCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-2-19-12(18)16-6-5-15-11(17)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate?
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate has a molecular weight of 305.16 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108573417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).