3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide

C23H22Br2N2O4 — CID 17351871

IUPAC3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br
InChIInChI=1S/C23H22Br2N2O4/c1-14(2)12-30-19-9-8-16(11-18(19)24)23(29)27-26-21(28)13-31-20-10-7-15-5-3-4-6-17(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNHNSCSVWLKQLDQ-UHFFFAOYSA-N
MW550.25 g/mol
LogP5.24
Rot. Bonds7

About 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide

3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 17351871) has the molecular formula C23H22Br2N2O4 and a molecular weight of 550.25 g/mol. Its IUPAC name is 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID17351871
Molecular FormulaC23H22Br2N2O4
Molecular Weight550.25 g/mol
Exact Mass547.99
IUPAC Name3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br
InChIInChI=1S/C23H22Br2N2O4/c1-14(2)12-30-19-9-8-16(11-18(19)24)23(29)27-26-21(28)13-31-20-10-7-15-5-3-4-6-17(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyNHNSCSVWLKQLDQ-UHFFFAOYSA-N
XLogP5.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.25
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
3-bromo-4-(2-methylpropoxy)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]benzamide
CID 17352513
3-bromo-N'-[2-(2,3-dimethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351938
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17357061
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073163
3-bromo-4-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17339504

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide (CID 17351871) is 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is NHNSCSVWLKQLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O4/c1-14(2)12-30-19-9-8-16(11-18(19)24)23(29)27-26-21(28)13-31-20-10-7-15-5-3-4-6-17(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide?
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 550.25 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17351871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).