1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea

C13H9Cl3N2O — CID 5174981

IUPAC1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccccc1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-4-1-2-6-10(8)17-13(19)18-11-7-3-5-9(15)12(11)16/h1-7H,(H2,17,18,19)
InChIKeyZGJCMSWOBVSNAW-UHFFFAOYSA-N
MW315.59 g/mol
LogP5.29
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea

1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea (PubChem CID 5174981) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
PubChem CID5174981
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
SMILESO=C(Nc1ccccc1Cl)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-4-1-2-6-10(8)17-13(19)18-11-7-3-5-9(15)12(11)16/h1-7H,(H2,17,18,19)
InChIKeyZGJCMSWOBVSNAW-UHFFFAOYSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
CID 159737263
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea (CID 5174981) is 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea is O=C(Nc1ccccc1Cl)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea?
The InChIKey is ZGJCMSWOBVSNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-4-1-2-6-10(8)17-13(19)18-11-7-3-5-9(15)12(11)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea?
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea has a molecular weight of 315.59 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 5174981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).