1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea

C20H25F2N3O2 — CID 71625597

IUPAC1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea
SMILESCCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H25F2N3O2/c1-3-25(4-2)12-5-13-27-17-9-7-16(8-10-17)23-20(26)24-19-11-6-15(21)14-18(19)22/h6-11,14H,3-5,12-13H2,1-2H3,(H2,23,24,26)
InChIKeyGBUGFRSLJQGEDK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.72
Rot. Bonds9

About 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea

1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea (PubChem CID 71625597) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea
PubChem CID71625597
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea
SMILESCCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H25F2N3O2/c1-3-25(4-2)12-5-13-27-17-9-7-16(8-10-17)23-20(26)24-19-11-6-15(21)14-18(19)22/h6-11,14H,3-5,12-13H2,1-2H3,(H2,23,24,26)
InChIKeyGBUGFRSLJQGEDK-UHFFFAOYSA-N
XLogP4.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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[4-[(2-Ethoxyphenyl)carbamoylamino]phenyl] sulfamate
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea (CID 71625597) is 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea is CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is GBUGFRSLJQGEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-3-25(4-2)12-5-13-27-17-9-7-16(8-10-17)23-20(26)24-19-11-6-15(21)14-18(19)22/h6-11,14H,3-5,12-13H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea?
1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 377.44 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 71625597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).