2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide

C26H27BrN2O3 — CID 19752889

IUPAC2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide
SMILESCCN(C(=O)c1cccc(Oc2ccccc2)c1)N(C(=O)c1ccccc1Br)C(C)(C)C
InChIInChI=1S/C26H27BrN2O3/c1-5-28(29(26(2,3)4)25(31)22-16-9-10-17-23(22)27)24(30)19-12-11-15-21(18-19)32-20-13-7-6-8-14-20/h6-18H,5H2,1-4H3
InChIKeyBUWBHDATLDIKGI-UHFFFAOYSA-N
MW495.42 g/mol
LogP6.56
Rot. Bonds5

About 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide

2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide (PubChem CID 19752889) has the molecular formula C26H27BrN2O3 and a molecular weight of 495.42 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide
PubChem CID19752889
Molecular FormulaC26H27BrN2O3
Molecular Weight495.42 g/mol
Exact Mass494.12
IUPAC Name2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide
SMILESCCN(C(=O)c1cccc(Oc2ccccc2)c1)N(C(=O)c1ccccc1Br)C(C)(C)C
InChIInChI=1S/C26H27BrN2O3/c1-5-28(29(26(2,3)4)25(31)22-16-9-10-17-23(22)27)24(30)19-12-11-15-21(18-19)32-20-13-7-6-8-14-20/h6-18H,5H2,1-4H3
InChIKeyBUWBHDATLDIKGI-UHFFFAOYSA-N
XLogP6.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide 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

N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide
CID 35285924
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
3-bromo-5-phenoxybenzoic acid
CID 102823557
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
2-(3-phenoxybenzoyl)-2-phenylbutanoic acid
CID 57232361
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3-(4-ethylsulfonylphenoxy)benzoic acid
CID 61395541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide (CID 19752889) is 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide is CCN(C(=O)c1cccc(Oc2ccccc2)c1)N(C(=O)c1ccccc1Br)C(C)(C)C.
What is the InChIKey of 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide?
The InChIKey is BUWBHDATLDIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O3/c1-5-28(29(26(2,3)4)25(31)22-16-9-10-17-23(22)27)24(30)19-12-11-15-21(18-19)32-20-13-7-6-8-14-20/h6-18H,5H2,1-4H3.
What are the key properties of 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide?
2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide has a molecular weight of 495.42 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-N'-ethyl-N'-(3-phenoxybenzoyl)benzohydrazide is sourced from PubChem (CID 19752889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).