1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea

C20H19ClN2O3 — CID 60614683

IUPAC1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-23(13-15-6-3-2-4-7-15)20(24)22-16-9-10-19(18(21)12-16)26-14-17-8-5-11-25-17/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyOWYIYZKSBSTZRB-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.18
Rot. Bonds6

About 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea

1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea (PubChem CID 60614683) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
PubChem CID60614683
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-23(13-15-6-3-2-4-7-15)20(24)22-16-9-10-19(18(21)12-16)26-14-17-8-5-11-25-17/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyOWYIYZKSBSTZRB-UHFFFAOYSA-N
XLogP5.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
3-[3-chloro-4-(7-phenylheptoxy)phenyl]-1,1-dimethylurea
CID 20566600
3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea
CID 12942091
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 72862665
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
3-[4-(3-bromo-3-phenylpropoxy)-3-chlorophenyl]-1,1-dimethylurea
CID 54097189
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-3-methylurea
CID 12942090
N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 47081306

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea (CID 60614683) is 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea is CN(Cc1ccccc1)C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1.
What is the InChIKey of 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The InChIKey is OWYIYZKSBSTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-23(13-15-6-3-2-4-7-15)20(24)22-16-9-10-19(18(21)12-16)26-14-17-8-5-11-25-17/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea has a molecular weight of 370.84 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea is sourced from PubChem (CID 60614683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).