1-(4-bromophenyl)-3-octoxyurea

C15H23BrN2O2 — CID 4184989

IUPAC1-(4-bromophenyl)-3-octoxyurea
SMILESCCCCCCCCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-2-3-4-5-6-7-12-20-18-15(19)17-14-10-8-13(16)9-11-14/h8-11H,2-7,12H2,1H3,(H2,17,18,19)
InChIKeyMGIYELIOZJJDDZ-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.86
Rot. Bonds9

About 1-(4-bromophenyl)-3-octoxyurea

1-(4-bromophenyl)-3-octoxyurea (PubChem CID 4184989) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-octoxyurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-octoxyurea
PubChem CID4184989
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-(4-bromophenyl)-3-octoxyurea
SMILESCCCCCCCCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-2-3-4-5-6-7-12-20-18-15(19)17-14-10-8-13(16)9-11-14/h8-11H,2-7,12H2,1H3,(H2,17,18,19)
InChIKeyMGIYELIOZJJDDZ-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-nonoxyurea
CID 5119350
1-(4-bromophenyl)-3-pentoxyurea
CID 5119118
1-pentoxy-3-phenylurea
CID 5118367
1-butoxy-3-(4-methylphenyl)urea
CID 5118852
1-butoxy-3-phenylurea
CID 4061845
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
1-(2-methylphenyl)-3-octoxyurea
CID 18807522
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
ethyl N-[(4-bromophenyl)carbamoylamino]carbamate
CID 2954633
octadecyl 4-bromobenzoate
CID 543643
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-octoxyurea?
The IUPAC name of 1-(4-bromophenyl)-3-octoxyurea (CID 4184989) is 1-(4-bromophenyl)-3-octoxyurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-octoxyurea?
The canonical SMILES for 1-(4-bromophenyl)-3-octoxyurea is CCCCCCCCONC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-octoxyurea?
The InChIKey is MGIYELIOZJJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-2-3-4-5-6-7-12-20-18-15(19)17-14-10-8-13(16)9-11-14/h8-11H,2-7,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-bromophenyl)-3-octoxyurea?
1-(4-bromophenyl)-3-octoxyurea has a molecular weight of 343.26 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-octoxyurea is sourced from PubChem (CID 4184989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).