3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide

C19H20BrClN2O3 — CID 17351923

IUPAC3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C19H20BrClN2O3/c1-12(2)11-26-17-8-5-14(10-16(17)20)19(25)23-22-18(24)9-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCFVNHALSNFZPL-UHFFFAOYSA-N
MW439.74 g/mol
LogP4.14
Rot. Bonds6

About 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide

3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 17351923) has the molecular formula C19H20BrClN2O3 and a molecular weight of 439.74 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID17351923
Molecular FormulaC19H20BrClN2O3
Molecular Weight439.74 g/mol
Exact Mass438.03
IUPAC Name3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C19H20BrClN2O3/c1-12(2)11-26-17-8-5-14(10-16(17)20)19(25)23-22-18(24)9-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDCFVNHALSNFZPL-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide (CID 17351923) is 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is DCFVNHALSNFZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3/c1-12(2)11-26-17-8-5-14(10-16(17)20)19(25)23-22-18(24)9-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide?
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 439.74 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17351923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).