1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea

C16H17FN2O2 — CID 970798

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)18-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyRFEJTVNCHZLDHL-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.46
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea

1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 970798) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID970798
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)18-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyRFEJTVNCHZLDHL-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109328594
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea (CID 970798) is 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is RFEJTVNCHZLDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-7-8-15(21-2)14(9-11)19-16(20)18-10-12-5-3-4-6-13(12)17/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 970798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).