(3,4-dichlorophenyl)methylurea

C8H8Cl2N2O — CID 10775227

IUPAC(3,4-dichlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O/c9-6-2-1-5(3-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyDDMMVFOKMDSIJT-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.16
Rot. Bonds2

About (3,4-dichlorophenyl)methylurea

(3,4-dichlorophenyl)methylurea (PubChem CID 10775227) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methylurea.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methylurea
PubChem CID10775227
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name(3,4-dichlorophenyl)methylurea
SMILESNC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O/c9-6-2-1-5(3-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyDDMMVFOKMDSIJT-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methylurea?
The IUPAC name of (3,4-dichlorophenyl)methylurea (CID 10775227) is (3,4-dichlorophenyl)methylurea.
What is the SMILES notation for (3,4-dichlorophenyl)methylurea?
The canonical SMILES for (3,4-dichlorophenyl)methylurea is NC(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methylurea?
The InChIKey is DDMMVFOKMDSIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-2-1-5(3-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (3,4-dichlorophenyl)methylurea?
(3,4-dichlorophenyl)methylurea has a molecular weight of 219.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methylurea is sourced from PubChem (CID 10775227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).