1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea

C17H17Cl2FN2O — CID 87592877

IUPAC1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O/c18-15-7-6-13(10-16(15)19)14(12-4-2-1-3-5-12)11-22-17(23)21-9-8-20/h1-7,10,14H,8-9,11H2,(H2,21,22,23)
InChIKeyMXKHDQSNIXAPJV-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.39
Rot. Bonds6

About 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea

1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea (PubChem CID 87592877) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea
PubChem CID87592877
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2FN2O/c18-15-7-6-13(10-16(15)19)14(12-4-2-1-3-5-12)11-22-17(23)21-9-8-20/h1-7,10,14H,8-9,11H2,(H2,21,22,23)
InChIKeyMXKHDQSNIXAPJV-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea (CID 87592877) is 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea is O=C(NCCF)NCC(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea?
The InChIKey is MXKHDQSNIXAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c18-15-7-6-13(10-16(15)19)14(12-4-2-1-3-5-12)11-22-17(23)21-9-8-20/h1-7,10,14H,8-9,11H2,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea?
1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea has a molecular weight of 355.24 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 87592877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).