N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide

C24H31BrN2O2 — CID 172807184

IUPACN'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide
SMILESCC[C@@H](CN(NC(=O)c1ccccc1Br)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H31BrN2O2/c1-7-19(24(4,5)6)15-27(23(29)18-13-16(2)12-17(3)14-18)26-22(28)20-10-8-9-11-21(20)25/h8-14,19H,7,15H2,1-6H3,(H,26,28)/t19-/m0/s1
InChIKeyRRCIYEBPVBLACU-IBGZPJMESA-N
MW459.43 g/mol
LogP5.93
Rot. Bonds5

About N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide

N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide (PubChem CID 172807184) has the molecular formula C24H31BrN2O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide
PubChem CID172807184
Molecular FormulaC24H31BrN2O2
Molecular Weight459.43 g/mol
Exact Mass458.16
IUPAC NameN'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide
SMILESCC[C@@H](CN(NC(=O)c1ccccc1Br)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H31BrN2O2/c1-7-19(24(4,5)6)15-27(23(29)18-13-16(2)12-17(3)14-18)26-22(28)20-10-8-9-11-21(20)25/h8-14,19H,7,15H2,1-6H3,(H,26,28)/t19-/m0/s1
InChIKeyRRCIYEBPVBLACU-IBGZPJMESA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide (CID 172807184) is N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide is CC[C@@H](CN(NC(=O)c1ccccc1Br)C(=O)c1cc(C)cc(C)c1)C(C)(C)C.
What is the InChIKey of N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide?
The InChIKey is RRCIYEBPVBLACU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31BrN2O2/c1-7-19(24(4,5)6)15-27(23(29)18-13-16(2)12-17(3)14-18)26-22(28)20-10-8-9-11-21(20)25/h8-14,19H,7,15H2,1-6H3,(H,26,28)/t19-/m0/s1.
What are the key properties of N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide?
N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide has a molecular weight of 459.43 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-N-[(2R)-2-ethyl-3,3-dimethylbutyl]-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 172807184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).