1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea

C17H18BrClN2O3 — CID 3669367

IUPAC1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C17H18BrClN2O3/c1-23-15-5-3-11(9-13(15)18)7-8-20-17(22)21-14-10-12(19)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyDSIQEMVVONOQTA-UHFFFAOYSA-N
MW413.70 g/mol
LogP4.48
Rot. Bonds6

About 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea

1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea (PubChem CID 3669367) has the molecular formula C17H18BrClN2O3 and a molecular weight of 413.70 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
PubChem CID3669367
Molecular FormulaC17H18BrClN2O3
Molecular Weight413.70 g/mol
Exact Mass412.02
IUPAC Name1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C17H18BrClN2O3/c1-23-15-5-3-11(9-13(15)18)7-8-20-17(22)21-14-10-12(19)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyDSIQEMVVONOQTA-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.70
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
1-(5-chloro-2-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3841185
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-butylurea
CID 3781568
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea?
The IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea (CID 3669367) is 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea is COc1ccc(CCNC(=O)Nc2cc(Cl)ccc2OC)cc1Br.
What is the InChIKey of 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea?
The InChIKey is DSIQEMVVONOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O3/c1-23-15-5-3-11(9-13(15)18)7-8-20-17(22)21-14-10-12(19)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea?
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea has a molecular weight of 413.70 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea is sourced from PubChem (CID 3669367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).