1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea

C15H14BrFN2O — CID 108898606

IUPAC1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-6-4-11(5-7-13)9-18-15(20)19-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyQLTPVKBTHZUNFK-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.59
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea

1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea (PubChem CID 108898606) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
PubChem CID108898606
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-6-4-11(5-7-13)9-18-15(20)19-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyQLTPVKBTHZUNFK-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
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2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
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1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
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1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
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CID 60969569

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea (CID 108898606) is 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea is O=C(NCc1ccc(Br)cc1)NCc1cccc(F)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is QLTPVKBTHZUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-6-4-11(5-7-13)9-18-15(20)19-10-12-2-1-3-14(17)8-12/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea?
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 337.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 108898606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).