1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea

C17H18BrClN2O3 — CID 1298550

IUPAC1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C17H18BrClN2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22)/t10-/m0/s1
InChIKeyUEJIEJKMCUWGLU-JTQLQIEISA-N
MW413.70 g/mol
LogP5.00
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea

1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 1298550) has the molecular formula C17H18BrClN2O3 and a molecular weight of 413.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID1298550
Molecular FormulaC17H18BrClN2O3
Molecular Weight413.70 g/mol
Exact Mass412.02
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C17H18BrClN2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22)/t10-/m0/s1
InChIKeyUEJIEJKMCUWGLU-JTQLQIEISA-N
XLogP5.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.70
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 19274793
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea (CID 1298550) is 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is UEJIEJKMCUWGLU-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18BrClN2O3/c1-10(13-9-12(23-2)5-7-16(13)24-3)20-17(22)21-15-6-4-11(18)8-14(15)19/h4-10H,1-3H3,(H2,20,21,22)/t10-/m0/s1.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea?
1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 413.70 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 1298550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).