3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide

C14H10BrCl2FN2O2 — CID 91685924

IUPAC3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10BrCl2FN2O2/c15-10-3-8(14(21)20-19)4-12(17)13(10)22-6-7-1-2-9(18)5-11(7)16/h1-5H,6,19H2,(H,20,21)
InChIKeyDKXCVBKDTUMKEV-UHFFFAOYSA-N
MW408.05 g/mol
LogP4.08
Rot. Bonds4

About 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide

3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide (PubChem CID 91685924) has the molecular formula C14H10BrCl2FN2O2 and a molecular weight of 408.05 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide.

Molecular Properties

Compound Name3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
PubChem CID91685924
Molecular FormulaC14H10BrCl2FN2O2
Molecular Weight408.05 g/mol
Exact Mass405.93
IUPAC Name3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
SMILESNNC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10BrCl2FN2O2/c15-10-3-8(14(21)20-19)4-12(17)13(10)22-6-7-1-2-9(18)5-11(7)16/h1-5H,6,19H2,(H,20,21)
InChIKeyDKXCVBKDTUMKEV-UHFFFAOYSA-N
XLogP4.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.05
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoyl chloride
CID 91682344
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622437
methyl (E)-3-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoate
CID 91685221

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide?
The IUPAC name of 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide (CID 91685924) is 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide.
What is the SMILES notation for 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide?
The canonical SMILES for 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide is NNC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide?
The InChIKey is DKXCVBKDTUMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FN2O2/c15-10-3-8(14(21)20-19)4-12(17)13(10)22-6-7-1-2-9(18)5-11(7)16/h1-5H,6,19H2,(H,20,21).
What are the key properties of 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide?
3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide has a molecular weight of 408.05 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide is sourced from PubChem (CID 91685924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).