N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide

C21H16Br4N2O4 — CID 3335299

IUPACN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C21H16Br4N2O4/c1-11-6-14(23)8-16(24)21(11)31-10-19(29)27-26-18(28)9-30-17-5-2-12-7-13(22)3-4-15(12)20(17)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyQZQSCUHEDCNFMK-UHFFFAOYSA-N
MW679.98 g/mol
LogP5.80
Rot. Bonds6

About N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide

N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide (PubChem CID 3335299) has the molecular formula C21H16Br4N2O4 and a molecular weight of 679.98 g/mol. Its IUPAC name is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
PubChem CID3335299
Molecular FormulaC21H16Br4N2O4
Molecular Weight679.98 g/mol
Exact Mass675.78
IUPAC NameN'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C21H16Br4N2O4/c1-11-6-14(23)8-16(24)21(11)31-10-19(29)27-26-18(28)9-30-17-5-2-12-7-13(22)3-4-15(12)20(17)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29)
InChIKeyQZQSCUHEDCNFMK-UHFFFAOYSA-N
XLogP5.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.98
LogP ≤ 55.80
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

N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-methylbutanamide
CID 4923138
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide
CID 4925812
5-bromo-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(3-methylbutoxy)benzohydrazide
CID 17350895
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 3307662
2-(2-bromo-4-ethylphenoxy)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]acetamide
CID 3255660
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3,5-dinitrobenzohydrazide
CID 3355476
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140455
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide?
The IUPAC name of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide (CID 3335299) is N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide?
The canonical SMILES for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide is Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide?
The InChIKey is QZQSCUHEDCNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br4N2O4/c1-11-6-14(23)8-16(24)21(11)31-10-19(29)27-26-18(28)9-30-17-5-2-12-7-13(22)3-4-15(12)20(17)25/h2-8H,9-10H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide?
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide has a molecular weight of 679.98 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide is sourced from PubChem (CID 3335299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).