2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate

C11H13Cl2NO3 — CID 79346229

IUPAC2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)OCCO
InChIInChI=1S/C11H13Cl2NO3/c1-14(11(16)17-3-2-15)7-8-4-9(12)6-10(13)5-8/h4-6,15H,2-3,7H2,1H3
InChIKeyGTHSZHWGEVIFIX-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.55
Rot. Bonds4

About 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate

2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate (PubChem CID 79346229) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate
PubChem CID79346229
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)OCCO
InChIInChI=1S/C11H13Cl2NO3/c1-14(11(16)17-3-2-15)7-8-4-9(12)6-10(13)5-8/h4-6,15H,2-3,7H2,1H3
InChIKeyGTHSZHWGEVIFIX-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate 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

2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 79345773
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate (CID 79346229) is 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate?
The InChIKey is GTHSZHWGEVIFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-14(11(16)17-3-2-15)7-8-4-9(12)6-10(13)5-8/h4-6,15H,2-3,7H2,1H3.
What are the key properties of 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate?
2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate has a molecular weight of 278.13 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(3,5-dichlorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 79346229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).