1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea

C17H15FN2O2 — CID 90552571

IUPAC1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C17H15FN2O2/c1-22-16-11-5-4-10-15(16)20-17(21)19-12-6-8-13-7-2-3-9-14(13)18/h2-5,7,9-11H,12H2,1H3,(H2,19,20,21)
InChIKeyMUKSBFCJTAFGIA-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.01
Rot. Bonds3

About 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea

1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea (PubChem CID 90552571) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
PubChem CID90552571
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C17H15FN2O2/c1-22-16-11-5-4-10-15(16)20-17(21)19-12-6-8-13-7-2-3-9-14(13)18/h2-5,7,9-11H,12H2,1H3,(H2,19,20,21)
InChIKeyMUKSBFCJTAFGIA-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90552592
1-benzyl-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552583
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
1-[(4-chlorophenyl)methyl]-3-[3-(2-methoxyphenyl)prop-2-ynyl]urea
CID 90553175
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
CID 62315446
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea (CID 90552571) is 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC#Cc1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea?
The InChIKey is MUKSBFCJTAFGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-16-11-5-4-10-15(16)20-17(21)19-12-6-8-13-7-2-3-9-14(13)18/h2-5,7,9-11H,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea?
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea has a molecular weight of 298.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 90552571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).