[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea

C14H19BrN4O3 — CID 9037779

IUPAC[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
SMILESNC(=O)NCCCCCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN4O3/c15-11-7-4-3-6-10(11)13(21)19-18-12(20)8-2-1-5-9-17-14(16)22/h3-4,6-7H,1-2,5,8-9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyYATDUKGPMWBFAQ-UHFFFAOYSA-N
MW371.24 g/mol
LogP1.44
Rot. Bonds7

About [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea

[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea (PubChem CID 9037779) has the molecular formula C14H19BrN4O3 and a molecular weight of 371.24 g/mol. Its IUPAC name is [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea.

Molecular Properties

Compound Name[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
PubChem CID9037779
Molecular FormulaC14H19BrN4O3
Molecular Weight371.24 g/mol
Exact Mass370.06
IUPAC Name[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
SMILESNC(=O)NCCCCCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN4O3/c15-11-7-4-3-6-10(11)13(21)19-18-12(20)8-2-1-5-9-17-14(16)22/h3-4,6-7H,1-2,5,8-9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyYATDUKGPMWBFAQ-UHFFFAOYSA-N
XLogP1.44
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea?
The IUPAC name of [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea (CID 9037779) is [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea.
What is the SMILES notation for [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea?
The canonical SMILES for [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea is NC(=O)NCCCCCC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea?
The InChIKey is YATDUKGPMWBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O3/c15-11-7-4-3-6-10(11)13(21)19-18-12(20)8-2-1-5-9-17-14(16)22/h3-4,6-7H,1-2,5,8-9H2,(H,18,20)(H,19,21)(H3,16,17,22).
What are the key properties of [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea?
[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea has a molecular weight of 371.24 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea is sourced from PubChem (CID 9037779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).