1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea

C14H18BrN3O3 — CID 171933307

IUPAC1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
SMILESCC1CN(C(=O)CNC(=O)Nc2ccc(Br)cc2)CCO1
InChIInChI=1S/C14H18BrN3O3/c1-10-9-18(6-7-21-10)13(19)8-16-14(20)17-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H2,16,17,20)
InChIKeyHZSMYZCVBMJREB-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea

1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea (PubChem CID 171933307) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
PubChem CID171933307
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
SMILESCC1CN(C(=O)CNC(=O)Nc2ccc(Br)cc2)CCO1
InChIInChI=1S/C14H18BrN3O3/c1-10-9-18(6-7-21-10)13(19)8-16-14(20)17-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H2,16,17,20)
InChIKeyHZSMYZCVBMJREB-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]urea
CID 171933322
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
N-(4-ethoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]benzamide
CID 51295319
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293210
3,5-dimethoxy-N-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 41247421
methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 94167830
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide
CID 46677486

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea (CID 171933307) is 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea is CC1CN(C(=O)CNC(=O)Nc2ccc(Br)cc2)CCO1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea?
The InChIKey is HZSMYZCVBMJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-10-9-18(6-7-21-10)13(19)8-16-14(20)17-12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea?
1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea has a molecular weight of 356.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea is sourced from PubChem (CID 171933307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).