N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide

C23H22Br2N2O4 — CID 17140455

IUPACN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1
InChIInChI=1S/C23H22Br2N2O4/c1-14(2)12-30-18-5-3-4-16(11-18)23(29)27-26-21(28)13-31-20-9-6-15-10-17(24)7-8-19(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFQDQOCUXPYCOIU-UHFFFAOYSA-N
MW550.25 g/mol
LogP5.24
Rot. Bonds7

About N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide

N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide (PubChem CID 17140455) has the molecular formula C23H22Br2N2O4 and a molecular weight of 550.25 g/mol. Its IUPAC name is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
PubChem CID17140455
Molecular FormulaC23H22Br2N2O4
Molecular Weight550.25 g/mol
Exact Mass547.99
IUPAC NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide
SMILESCC(C)COc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1
InChIInChI=1S/C23H22Br2N2O4/c1-14(2)12-30-18-5-3-4-16(11-18)23(29)27-26-21(28)13-31-20-9-6-15-10-17(24)7-8-19(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFQDQOCUXPYCOIU-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

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140789
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-pentoxybenzohydrazide
CID 4935386
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-methylbutanamide
CID 4923138
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3,5-dinitrobenzohydrazide
CID 3355476
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
3-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-4-hexoxybenzohydrazide
CID 4959647
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
4-tert-butyl-N-[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]benzamide
CID 3380438

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide (CID 17140455) is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide is CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1.
What is the InChIKey of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide?
The InChIKey is FQDQOCUXPYCOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O4/c1-14(2)12-30-18-5-3-4-16(11-18)23(29)27-26-21(28)13-31-20-9-6-15-10-17(24)7-8-19(15)22(20)25/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide?
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(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 N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17140455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).