3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea

C13H12Cl2N2O2 — CID 5015245

IUPAC3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17(8-10-3-2-6-19-10)13(18)16-12-5-4-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyRVTNTLHYVBSULS-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.25
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea

3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 5015245) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID5015245
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-17(8-10-3-2-6-19-10)13(18)16-12-5-4-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyRVTNTLHYVBSULS-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

3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3646630
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3548188

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea (CID 5015245) is 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is RVTNTLHYVBSULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-17(8-10-3-2-6-19-10)13(18)16-12-5-4-9(14)7-11(12)15/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea?
3-(2,4-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-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 5015245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).