1,3-bis(3-chloro-2-methylphenyl)urea

C15H14Cl2N2O — CID 588174

IUPAC1,3-bis(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-9-11(16)5-3-7-13(9)18-15(20)19-14-8-4-6-12(17)10(14)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLBQBQPFLWWVOMO-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.25
Rot. Bonds2

About 1,3-bis(3-chloro-2-methylphenyl)urea

1,3-bis(3-chloro-2-methylphenyl)urea (PubChem CID 588174) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1,3-bis(3-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1,3-bis(3-chloro-2-methylphenyl)urea
PubChem CID588174
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1,3-bis(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-9-11(16)5-3-7-13(9)18-15(20)19-14-8-4-6-12(17)10(14)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyLBQBQPFLWWVOMO-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-chloro-2-methylphenyl)urea?
The IUPAC name of 1,3-bis(3-chloro-2-methylphenyl)urea (CID 588174) is 1,3-bis(3-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1,3-bis(3-chloro-2-methylphenyl)urea?
The canonical SMILES for 1,3-bis(3-chloro-2-methylphenyl)urea is Cc1c(Cl)cccc1NC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 1,3-bis(3-chloro-2-methylphenyl)urea?
The InChIKey is LBQBQPFLWWVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-11(16)5-3-7-13(9)18-15(20)19-14-8-4-6-12(17)10(14)2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1,3-bis(3-chloro-2-methylphenyl)urea?
1,3-bis(3-chloro-2-methylphenyl)urea has a molecular weight of 309.20 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-chloro-2-methylphenyl)urea is sourced from PubChem (CID 588174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).