1-(2,3-dichlorophenyl)-3-propylurea

C10H12Cl2N2O — CID 4654956

IUPAC1-(2,3-dichlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyRJSLEVJKXYVDGE-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.52
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-propylurea

1-(2,3-dichlorophenyl)-3-propylurea (PubChem CID 4654956) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-propylurea
PubChem CID4654956
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name1-(2,3-dichlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H2,13,14,15)
InChIKeyRJSLEVJKXYVDGE-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974045
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-propylurea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-propylurea (CID 4654956) is 1-(2,3-dichlorophenyl)-3-propylurea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-propylurea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-propylurea is CCCNC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-propylurea?
The InChIKey is RJSLEVJKXYVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-2-6-13-10(15)14-8-5-3-4-7(11)9(8)12/h3-5H,2,6H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,3-dichlorophenyl)-3-propylurea?
1-(2,3-dichlorophenyl)-3-propylurea has a molecular weight of 247.12 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-propylurea is sourced from PubChem (CID 4654956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).