1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea

C11H14ClFN2O — CID 2804469

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(2)15-11(16)14-6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
InChIKeyIZTPJRVTUIFFSA-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea

1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea (PubChem CID 2804469) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea
PubChem CID2804469
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(2)15-11(16)14-6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
InChIKeyIZTPJRVTUIFFSA-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea (CID 2804469) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea?
The InChIKey is IZTPJRVTUIFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(2)15-11(16)14-6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea?
1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea has a molecular weight of 244.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 2804469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).