1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea

C19H24BrN3O — CID 67514117

IUPAC1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
SMILESCCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C19H24BrN3O/c1-3-12-23(16-8-6-7-15(2)14-16)13-11-21-19(24)22-18-10-5-4-9-17(18)20/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,24)
InChIKeyRJYJBTXYIKHTHM-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.80
Rot. Bonds7

About 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea

1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea (PubChem CID 67514117) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
PubChem CID67514117
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
SMILESCCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
InChIInChI=1S/C19H24BrN3O/c1-3-12-23(16-8-6-7-15(2)14-16)13-11-21-19(24)22-18-10-5-4-9-17(18)20/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,24)
InChIKeyRJYJBTXYIKHTHM-UHFFFAOYSA-N
XLogP4.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
CID 24768238
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3498030
CID 138691667
CID 138691667
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241090
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea (CID 67514117) is 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea is CCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea?
The InChIKey is RJYJBTXYIKHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-3-12-23(16-8-6-7-15(2)14-16)13-11-21-19(24)22-18-10-5-4-9-17(18)20/h4-10,14H,3,11-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea?
1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea has a molecular weight of 390.33 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea is sourced from PubChem (CID 67514117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).