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

C14H14Cl2N2O3 — CID 121145780

IUPAC1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14Cl2N2O3/c1-20-13(12-3-2-6-21-12)8-17-14(19)18-9-4-5-10(15)11(16)7-9/h2-7,13H,8H2,1H3,(H2,17,18,19)
InChIKeyNHCBNPZUKMMMEI-UHFFFAOYSA-N
MW329.18 g/mol
LogP4.10
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 121145780) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID121145780
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C14H14Cl2N2O3/c1-20-13(12-3-2-6-21-12)8-17-14(19)18-9-4-5-10(15)11(16)7-9/h2-7,13H,8H2,1H3,(H2,17,18,19)
InChIKeyNHCBNPZUKMMMEI-UHFFFAOYSA-N
XLogP4.10
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea (CID 121145780) is 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea is COC(CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is NHCBNPZUKMMMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-20-13(12-3-2-6-21-12)8-17-14(19)18-9-4-5-10(15)11(16)7-9/h2-7,13H,8H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea?
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 329.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 121145780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).