[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea

C17H16Br2N4O3 — CID 24643247

IUPAC[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1ccccc1Br)c1cccc(Br)c1
InChIInChI=1S/C17H16Br2N4O3/c18-11-5-3-4-10(8-11)14(21-17(20)26)9-15(24)22-23-16(25)12-6-1-2-7-13(12)19/h1-8,14H,9H2,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyMSRHSPMOOLYYGQ-UHFFFAOYSA-N
MW484.15 g/mol
LogP2.77
Rot. Bonds5

About [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea

[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea (PubChem CID 24643247) has the molecular formula C17H16Br2N4O3 and a molecular weight of 484.15 g/mol. Its IUPAC name is [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
PubChem CID24643247
Molecular FormulaC17H16Br2N4O3
Molecular Weight484.15 g/mol
Exact Mass481.96
IUPAC Name[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1ccccc1Br)c1cccc(Br)c1
InChIInChI=1S/C17H16Br2N4O3/c18-11-5-3-4-10(8-11)14(21-17(20)26)9-15(24)22-23-16(25)12-6-1-2-7-13(12)19/h1-8,14H,9H2,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyMSRHSPMOOLYYGQ-UHFFFAOYSA-N
XLogP2.77
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.15
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
CID 24638054
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 30284468
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066
[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
CID 9333202
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
3-(3-bromophenyl)-3-(3-methoxypropanoylamino)propanoic acid
CID 119192481
[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
CID 9037779

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea?
The IUPAC name of [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea (CID 24643247) is [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea is NC(=O)NC(CC(=O)NNC(=O)c1ccccc1Br)c1cccc(Br)c1.
What is the InChIKey of [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea?
The InChIKey is MSRHSPMOOLYYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N4O3/c18-11-5-3-4-10(8-11)14(21-17(20)26)9-15(24)22-23-16(25)12-6-1-2-7-13(12)19/h1-8,14H,9H2,(H,22,24)(H,23,25)(H3,20,21,26).
What are the key properties of [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea?
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea has a molecular weight of 484.15 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea is sourced from PubChem (CID 24643247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).