1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea

C19H21FN2O3 — CID 113215777

IUPAC1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCOc1ccc(C2(NC(=O)NCc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C19H21FN2O3/c1-24-16-8-7-14(11-17(16)25-2)19(9-10-19)22-18(23)21-12-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22,23)
InChIKeyZEHNSJDCPHUJQQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.33
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea

1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 113215777) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID113215777
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCOc1ccc(C2(NC(=O)NCc3ccccc3F)CC2)cc1OC
InChIInChI=1S/C19H21FN2O3/c1-24-16-8-7-14(11-17(16)25-2)19(9-10-19)22-18(23)21-12-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22,23)
InChIKeyZEHNSJDCPHUJQQ-UHFFFAOYSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 43819048
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 113091414
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
CID 110479476

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea (CID 113215777) is 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea is COc1ccc(C2(NC(=O)NCc3ccccc3F)CC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is ZEHNSJDCPHUJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-16-8-7-14(11-17(16)25-2)19(9-10-19)22-18(23)21-12-13-5-3-4-6-15(13)20/h3-8,11H,9-10,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea?
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 344.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 113215777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).