1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea

C14H14ClFN2OS — CID 27869970

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14ClFN2OS/c1-2-18(9-12-7-8-13(15)20-12)14(19)17-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyMGBGNOFWLVYKEC-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.59
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea

1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea (PubChem CID 27869970) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea
PubChem CID27869970
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14ClFN2OS/c1-2-18(9-12-7-8-13(15)20-12)14(19)17-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyMGBGNOFWLVYKEC-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea (CID 27869970) is 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea is CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea?
The InChIKey is MGBGNOFWLVYKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-2-18(9-12-7-8-13(15)20-12)14(19)17-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,19).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea?
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea has a molecular weight of 312.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea is sourced from PubChem (CID 27869970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).