1-(4-bromophenyl)-3-nonoxyurea

C16H25BrN2O2 — CID 5119350

IUPAC1-(4-bromophenyl)-3-nonoxyurea
SMILESCCCCCCCCCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-2-3-4-5-6-7-8-13-21-19-16(20)18-15-11-9-14(17)10-12-15/h9-12H,2-8,13H2,1H3,(H2,18,19,20)
InChIKeyAVWBJWRKLUKUBU-UHFFFAOYSA-N
MW357.29 g/mol
LogP5.25
Rot. Bonds10

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

1-(4-bromophenyl)-3-nonoxyurea (PubChem CID 5119350) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-nonoxyurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-nonoxyurea
PubChem CID5119350
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-(4-bromophenyl)-3-nonoxyurea
SMILESCCCCCCCCCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-2-3-4-5-6-7-8-13-21-19-16(20)18-15-11-9-14(17)10-12-15/h9-12H,2-8,13H2,1H3,(H2,18,19,20)
InChIKeyAVWBJWRKLUKUBU-UHFFFAOYSA-N
XLogP5.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.25
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'}

Analyze 1-(4-bromophenyl)-3-nonoxyurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-octoxyurea
CID 4184989
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-nonoxyurea?
The IUPAC name of 1-(4-bromophenyl)-3-nonoxyurea (CID 5119350) is 1-(4-bromophenyl)-3-nonoxyurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-nonoxyurea?
The canonical SMILES for 1-(4-bromophenyl)-3-nonoxyurea is CCCCCCCCCONC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-nonoxyurea?
The InChIKey is AVWBJWRKLUKUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-2-3-4-5-6-7-8-13-21-19-16(20)18-15-11-9-14(17)10-12-15/h9-12H,2-8,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromophenyl)-3-nonoxyurea?
1-(4-bromophenyl)-3-nonoxyurea has a molecular weight of 357.29 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-nonoxyurea is sourced from PubChem (CID 5119350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).