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

C18H22BrN3O — CID 3498030

IUPAC1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C18H22BrN3O/c1-3-22(17-9-4-6-14(2)12-17)11-10-20-18(23)21-16-8-5-7-15(19)13-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyXSTKCCPTPVWRJB-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.41
Rot. Bonds6

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

1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 3498030) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID3498030
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc(Br)c1)c1cccc(C)c1
InChIInChI=1S/C18H22BrN3O/c1-3-22(17-9-4-6-14(2)12-17)11-10-20-18(23)21-16-8-5-7-15(19)13-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyXSTKCCPTPVWRJB-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

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Related Compounds

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-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
CID 67514117
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 3498030) is 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1cccc(Br)c1)c1cccc(C)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is XSTKCCPTPVWRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-22(17-9-4-6-14(2)12-17)11-10-20-18(23)21-16-8-5-7-15(19)13-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-(3-bromophenyl)-3-[2-(N-ethyl-3-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-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 3498030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).