1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C22H22FN3O — CID 67053168

IUPAC1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NC(C)(C)c3ccccc3F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c1-15-14-17(12-13-24-15)16-8-10-18(11-9-16)25-21(27)26-22(2,3)19-6-4-5-7-20(19)23/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyWKDCVYCPEVZIPG-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.25
Rot. Bonds4

About 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053168) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053168
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NC(C)(C)c3ccccc3F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c1-15-14-17(12-13-24-15)16-8-10-18(11-9-16)25-21(27)26-22(2,3)19-6-4-5-7-20(19)23/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyWKDCVYCPEVZIPG-UHFFFAOYSA-N
XLogP5.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053109
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110444346
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
2-(2-chloro-5-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67308080
1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053167
2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309295
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053168) is 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is Cc1cc(-c2ccc(NC(=O)NC(C)(C)c3ccccc3F)cc2)ccn1.
What is the InChIKey of 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is WKDCVYCPEVZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-14-17(12-13-24-15)16-8-10-18(11-9-16)25-21(27)26-22(2,3)19-6-4-5-7-20(19)23/h4-14H,1-3H3,(H2,25,26,27).
What are the key properties of 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 363.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).