N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide

C17H17BrN2O2 — CID 18229988

IUPACN'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)12-3-5-13(6-4-12)16(21)19-20-17(22)14-7-9-15(18)10-8-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZXCZSYCINPEHS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.65
Rot. Bonds3

About N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide

N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide (PubChem CID 18229988) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
PubChem CID18229988
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11(2)12-3-5-13(6-4-12)16(21)19-20-17(22)14-7-9-15(18)10-8-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZXCZSYCINPEHS-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
(E)-4-oxo-4-[2-(4-propan-2-ylbenzoyl)hydrazinyl]but-2-enoate
CID 7029002
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide (CID 18229988) is N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide is CC(C)c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide?
The InChIKey is ZZXCZSYCINPEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11(2)12-3-5-13(6-4-12)16(21)19-20-17(22)14-7-9-15(18)10-8-14/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide?
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide has a molecular weight of 361.24 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 18229988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).