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

C18H22BrN3O — CID 24768238

IUPAC1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H22BrN3O/c1-3-22(15-10-8-14(2)9-11-15)13-12-20-18(23)21-17-7-5-4-6-16(17)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyVLVGQHWNCOHWAP-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.41
Rot. Bonds6

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

1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea (PubChem CID 24768238) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
PubChem CID24768238
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H22BrN3O/c1-3-22(15-10-8-14(2)9-11-15)13-12-20-18(23)21-17-7-5-4-6-16(17)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyVLVGQHWNCOHWAP-UHFFFAOYSA-N
XLogP4.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
CID 67514117
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
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
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108898002
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774
N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
CID 100533680
1-(4-bromo-3-methylphenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753254
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea (CID 24768238) is 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea?
The InChIKey is VLVGQHWNCOHWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-22(15-10-8-14(2)9-11-15)13-12-20-18(23)21-17-7-5-4-6-16(17)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea?
1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea has a molecular weight of 376.30 g/mol, XLogP of 4.41, 6 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-(N-ethyl-4-methylanilino)ethyl]urea is sourced from PubChem (CID 24768238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).