(3-chloro-4-fluorophenyl)methylurea

C8H8ClFN2O — CID 62537770

IUPAC(3-chloro-4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyKKBGTNUZMWDBCW-UHFFFAOYSA-N
MW202.62 g/mol
LogP1.65
Rot. Bonds2

About (3-chloro-4-fluorophenyl)methylurea

(3-chloro-4-fluorophenyl)methylurea (PubChem CID 62537770) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)methylurea.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)methylurea
PubChem CID62537770
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name(3-chloro-4-fluorophenyl)methylurea
SMILESNC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyKKBGTNUZMWDBCW-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)methylurea?
The IUPAC name of (3-chloro-4-fluorophenyl)methylurea (CID 62537770) is (3-chloro-4-fluorophenyl)methylurea.
What is the SMILES notation for (3-chloro-4-fluorophenyl)methylurea?
The canonical SMILES for (3-chloro-4-fluorophenyl)methylurea is NC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)methylurea?
The InChIKey is KKBGTNUZMWDBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-6-3-5(1-2-7(6)10)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (3-chloro-4-fluorophenyl)methylurea?
(3-chloro-4-fluorophenyl)methylurea has a molecular weight of 202.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)methylurea is sourced from PubChem (CID 62537770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).