1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea

C16H16BrFN2O2 — CID 55697289

IUPAC1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C16H16BrFN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(21)20-14-8-7-11(18)9-15(14)22-2/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyPXGCXIVFHQNSDT-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.48
Rot. Bonds4

About 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea

1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea (PubChem CID 55697289) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
PubChem CID55697289
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C16H16BrFN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(21)20-14-8-7-11(18)9-15(14)22-2/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyPXGCXIVFHQNSDT-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[1-(2-bromophenyl)ethylcarbamoylamino]-2,4-difluorobenzoate
CID 78879480
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 55697257
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea
CID 119040647
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea (CID 55697289) is 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea is COc1cc(F)ccc1NC(=O)NC(C)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea?
The InChIKey is PXGCXIVFHQNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(21)20-14-8-7-11(18)9-15(14)22-2/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea?
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea has a molecular weight of 367.22 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea is sourced from PubChem (CID 55697289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).