1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea

C17H14Cl2N2O3 — CID 131701819

IUPAC1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC(c1ccco1)c1ccco1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-17(22)20-10-12(15-3-1-7-23-15)16-4-2-8-24-16/h1-9,12H,10H2,(H2,20,21,22)
InChIKeyLLHDNHCOOBAFJX-UHFFFAOYSA-N
MW365.22 g/mol
LogP5.13
Rot. Bonds5

About 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea

1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 131701819) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
PubChem CID131701819
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC(c1ccco1)c1ccco1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-17(22)20-10-12(15-3-1-7-23-15)16-4-2-8-24-16/h1-9,12H,10H2,(H2,20,21,22)
InChIKeyLLHDNHCOOBAFJX-UHFFFAOYSA-N
XLogP5.13
TPSA67.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
CID 121145780
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea (CID 131701819) is 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea is O=C(NCC(c1ccco1)c1ccco1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is LLHDNHCOOBAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-17(22)20-10-12(15-3-1-7-23-15)16-4-2-8-24-16/h1-9,12H,10H2,(H2,20,21,22).
What are the key properties of 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea?
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 365.22 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 131701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).