1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

C18H21BrFN3O — CID 3339643

IUPAC1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccc(Br)cc1F)c1cccc(C)c1
InChIInChI=1S/C18H21BrFN3O/c1-3-23(15-6-4-5-13(2)11-15)10-9-21-18(24)22-17-8-7-14(19)12-16(17)20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,22,24)
InChIKeyWCCJDVXPDHWOAZ-UHFFFAOYSA-N
MW394.29 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 3339643) has the molecular formula C18H21BrFN3O and a molecular weight of 394.29 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID3339643
Molecular FormulaC18H21BrFN3O
Molecular Weight394.29 g/mol
Exact Mass393.09
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccc(Br)cc1F)c1cccc(C)c1
InChIInChI=1S/C18H21BrFN3O/c1-3-23(15-6-4-5-13(2)11-15)10-9-21-18(24)22-17-8-7-14(19)12-16(17)20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,22,24)
InChIKeyWCCJDVXPDHWOAZ-UHFFFAOYSA-N
XLogP4.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3498030
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753377
1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
CID 67514117
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
CID 24768238
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
1-(4-bromo-2-fluorophenyl)-3-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methyl]urea
CID 20928550
N-[(2S)-1-[2-(N-ethyl-3-methylanilino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55936357

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 3339643) is 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccc(Br)cc1F)c1cccc(C)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is WCCJDVXPDHWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3O/c1-3-23(15-6-4-5-13(2)11-15)10-9-21-18(24)22-17-8-7-14(19)12-16(17)20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 394.29 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 3339643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).