1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea

C21H19FN2O2 — CID 60544437

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C21H19FN2O2/c22-18-12-10-16(11-13-18)14-23-21(25)24-20-9-5-4-6-17(20)15-26-19-7-2-1-3-8-19/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyKXRMQDSTWKBJMB-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.73
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea (PubChem CID 60544437) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
PubChem CID60544437
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C21H19FN2O2/c22-18-12-10-16(11-13-18)14-23-21(25)24-20-9-5-4-6-17(20)15-26-19-7-2-1-3-8-19/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyKXRMQDSTWKBJMB-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60543304
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[(6-chloro-3-pyridinyl)methyl]-3-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]urea
CID 78893561
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea (CID 60544437) is 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea is O=C(NCc1ccc(F)cc1)Nc1ccccc1COc1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea?
The InChIKey is KXRMQDSTWKBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-18-12-10-16(11-13-18)14-23-21(25)24-20-9-5-4-6-17(20)15-26-19-7-2-1-3-8-19/h1-13H,14-15H2,(H2,23,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea has a molecular weight of 350.39 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 60544437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).