3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea

C14H20Cl2N2O3 — CID 122563793

IUPAC3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-20-8-6-18(7-9-21-2)14(19)17-10-11-4-3-5-12(15)13(11)16/h3-5H,6-10H2,1-2H3,(H,17,19)
InChIKeyFODKOKKJGZHTDG-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.80
Rot. Bonds8

About 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea

3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 122563793) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID122563793
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-20-8-6-18(7-9-21-2)14(19)17-10-11-4-3-5-12(15)13(11)16/h3-5H,6-10H2,1-2H3,(H,17,19)
InChIKeyFODKOKKJGZHTDG-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 743788
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2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
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N-(3,4-Dichlorobenzyl)-2-methoxyethanamine
CID 594256
N-(2-chlorobenzyl)-4-morpholinecarboxamide
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(3,4-Dichlorophenyl)methylurea
CID 10775227
N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624916
3-[(4-Chloro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
CID 75522045
1-[(2,3-Dichlorophenyl)methyl]-3-(2-fluoroethyl)urea
CID 25119146
1-Tert-butyl-3-[(3,4-dichlorophenyl)methyl]urea
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CID 307087

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (CID 122563793) is 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is FODKOKKJGZHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-20-8-6-18(7-9-21-2)14(19)17-10-11-4-3-5-12(15)13(11)16/h3-5H,6-10H2,1-2H3,(H,17,19).
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 335.23 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 122563793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).