1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea

C18H20F2N2O3 — CID 113216737

IUPAC1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-18(2,11-8-9-14(24-3)15(10-11)25-4)22-17(23)21-16-12(19)6-5-7-13(16)20/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyURVPBFLCFDLHKT-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea

1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (PubChem CID 113216737) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
PubChem CID113216737
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-18(2,11-8-9-14(24-3)15(10-11)25-4)22-17(23)21-16-12(19)6-5-7-13(16)20/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyURVPBFLCFDLHKT-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
1-(3,4,5-trimethoxyphenyl)-3-[2-[3-[2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 43835557
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (CID 113216737) is 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2c(F)cccc2F)cc1OC.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The InChIKey is URVPBFLCFDLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-18(2,11-8-9-14(24-3)15(10-11)25-4)22-17(23)21-16-12(19)6-5-7-13(16)20/h5-10H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea has a molecular weight of 350.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).