3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea

C18H18ClFN2O — CID 166317920

IUPAC3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NC1(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c1-22(16-8-6-15(20)7-9-16)17(23)21-18(10-11-18)12-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyOAYRGHMWCHVWGM-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.40
Rot. Bonds4

About 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea

3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea (PubChem CID 166317920) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
PubChem CID166317920
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NC1(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O/c1-22(16-8-6-15(20)7-9-16)17(23)21-18(10-11-18)12-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyOAYRGHMWCHVWGM-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea (CID 166317920) is 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea is CN(C(=O)NC1(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea?
The InChIKey is OAYRGHMWCHVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-22(16-8-6-15(20)7-9-16)17(23)21-18(10-11-18)12-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,21,23).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea?
3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea has a molecular weight of 332.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea is sourced from PubChem (CID 166317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).