1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea

C11H15Cl2N3O — CID 978037

IUPAC1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(2)7-6-14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyKRCDWRPSCJOVSK-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea

1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 978037) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID978037
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(2)7-6-14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyKRCDWRPSCJOVSK-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea 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

1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea (CID 978037) is 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is KRCDWRPSCJOVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-16(2)7-6-14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5H,6-7H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea?
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 276.17 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 978037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).