3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide

C18H18BrClN2O3 — CID 4955884

IUPAC3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C18H18BrClN2O3/c1-2-3-10-25-16-9-8-12(11-14(16)19)17(23)21-22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyNFMVNYHTNICEBC-UHFFFAOYSA-N
MW425.71 g/mol
LogP4.36
Rot. Bonds6

About 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide

3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide (PubChem CID 4955884) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
PubChem CID4955884
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC Name3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C18H18BrClN2O3/c1-2-3-10-25-16-9-8-12(11-14(16)19)17(23)21-22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyNFMVNYHTNICEBC-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
4-[2-(3-bromo-4-butoxybenzoyl)hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 4955915
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
3-bromo-4-butoxy-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4956187
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4959610
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
3-bromo-N'-(2,4-dichlorobenzoyl)-4-ethoxybenzohydrazide
CID 17073868
methyl 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]benzoate
CID 4956083
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide (CID 4955884) is 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1Br.
What is the InChIKey of 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide?
The InChIKey is NFMVNYHTNICEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-2-3-10-25-16-9-8-12(11-14(16)19)17(23)21-22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide?
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide has a molecular weight of 425.71 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 4955884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).