1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea

C16H23ClFN3O2 — CID 71967372

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(Cl)c(F)c1)C1CN(C)CCO1
InChIInChI=1S/C16H23ClFN3O2/c1-11(15-10-20(2)6-7-23-15)19-16(22)21(3)9-12-4-5-13(17)14(18)8-12/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyHCGYXNCIENVKEV-UHFFFAOYSA-N
MW343.83 g/mol
LogP2.34
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea

1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea (PubChem CID 71967372) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
PubChem CID71967372
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)Cc1ccc(Cl)c(F)c1)C1CN(C)CCO1
InChIInChI=1S/C16H23ClFN3O2/c1-11(15-10-20(2)6-7-23-15)19-16(22)21(3)9-12-4-5-13(17)14(18)8-12/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,22)
InChIKeyHCGYXNCIENVKEV-UHFFFAOYSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea (CID 71967372) is 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea is CC(NC(=O)N(C)Cc1ccc(Cl)c(F)c1)C1CN(C)CCO1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The InChIKey is HCGYXNCIENVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O2/c1-11(15-10-20(2)6-7-23-15)19-16(22)21(3)9-12-4-5-13(17)14(18)8-12/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,19,22).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea has a molecular weight of 343.83 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]urea is sourced from PubChem (CID 71967372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).