1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea

C19H24BrN3O — CID 108900589

IUPAC1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCc2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN3O/c1-3-23(4-2)17-11-9-16(10-12-17)22-19(24)21-14-13-15-7-5-6-8-18(15)20/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyKVZZFCPTYBHPSM-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea

1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea (PubChem CID 108900589) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
PubChem CID108900589
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCc2ccccc2Br)cc1
InChIInChI=1S/C19H24BrN3O/c1-3-23(4-2)17-11-9-16(10-12-17)22-19(24)21-14-13-15-7-5-6-8-18(15)20/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyKVZZFCPTYBHPSM-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108900492
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-(2-bromophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]urea
CID 24768238
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea (CID 108900589) is 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea is CCN(CC)c1ccc(NC(=O)NCCc2ccccc2Br)cc1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea?
The InChIKey is KVZZFCPTYBHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-3-23(4-2)17-11-9-16(10-12-17)22-19(24)21-14-13-15-7-5-6-8-18(15)20/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea?
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea has a molecular weight of 390.33 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea is sourced from PubChem (CID 108900589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).