3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea

C13H12Cl2N2O2 — CID 5004523

IUPAC3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17(8-9-4-3-7-19-9)13(18)16-11-6-2-5-10(14)12(11)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyHEEYHLNVZGBSMK-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.25
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea

3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 5004523) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID5004523
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17(8-9-4-3-7-19-9)13(18)16-11-6-2-5-10(14)12(11)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyHEEYHLNVZGBSMK-UHFFFAOYSA-N
XLogP4.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
CID 7318862
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
3-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 94147785

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea (CID 5004523) is 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is HEEYHLNVZGBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-17(8-9-4-3-7-19-9)13(18)16-11-6-2-5-10(14)12(11)15/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 299.16 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 5004523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).