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

C18H20F2N2O3 — CID 113216738

IUPAC1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-18(2,11-5-8-15(24-3)16(9-11)25-4)22-17(23)21-12-6-7-13(19)14(20)10-12/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyADEBENGDTUJYGI-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.04
Rot. Bonds5

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

1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (PubChem CID 113216738) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
PubChem CID113216738
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C18H20F2N2O3/c1-18(2,11-5-8-15(24-3)16(9-11)25-4)22-17(23)21-12-6-7-13(19)14(20)10-12/h5-10H,1-4H3,(H2,21,22,23)
InChIKeyADEBENGDTUJYGI-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-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pyrazin-2-ylurea
CID 110492529
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea (CID 113216738) is 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
The InChIKey is ADEBENGDTUJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-18(2,11-5-8-15(24-3)16(9-11)25-4)22-17(23)21-12-6-7-13(19)14(20)10-12/h5-10H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea?
1-(3,4-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-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).