3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea

C11H15BrN2O — CID 78917448

IUPAC3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-3-14(2)11(15)13-8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyANDUOAYEHDKWOQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.61
Rot. Bonds3

About 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea

3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea (PubChem CID 78917448) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
PubChem CID78917448
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-3-14(2)11(15)13-8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyANDUOAYEHDKWOQ-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173
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methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
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3-[(3-bromophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108898907
(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
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N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea (CID 78917448) is 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea?
The InChIKey is ANDUOAYEHDKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-14(2)11(15)13-8-9-5-4-6-10(12)7-9/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea?
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea has a molecular weight of 271.16 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 78917448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).