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

C27H22Br2N2O4 — CID 19628301

IUPACN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C27H22Br2N2O4/c28-20-11-12-21-19(16-20)10-13-24(26(21)29)35-17-25(32)30-31-27(33)22-8-4-5-9-23(22)34-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,30,32)(H,31,33)
InChIKeyHWHVLTGIIKTUDM-UHFFFAOYSA-N
MW598.29 g/mol
LogP5.83
Rot. Bonds8

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

N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide (PubChem CID 19628301) has the molecular formula C27H22Br2N2O4 and a molecular weight of 598.29 g/mol. Its IUPAC name is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
PubChem CID19628301
Molecular FormulaC27H22Br2N2O4
Molecular Weight598.29 g/mol
Exact Mass595.99
IUPAC NameN'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C27H22Br2N2O4/c28-20-11-12-21-19(16-20)10-13-24(26(21)29)35-17-25(32)30-31-27(33)22-8-4-5-9-23(22)34-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,30,32)(H,31,33)
InChIKeyHWHVLTGIIKTUDM-UHFFFAOYSA-N
XLogP5.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.29
LogP ≤ 55.83
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-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134491
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
3-bromo-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17073163
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 17051880
5-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046823
5-bromo-2-(2-phenylethoxy)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 17046862
5-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17046872

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide (CID 19628301) is N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide is O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide?
The InChIKey is HWHVLTGIIKTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Br2N2O4/c28-20-11-12-21-19(16-20)10-13-24(26(21)29)35-17-25(32)30-31-27(33)22-8-4-5-9-23(22)34-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2,(H,30,32)(H,31,33).
What are the key properties of N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide?
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-(2-phenylethoxy)benzohydrazide has a molecular weight of 598.29 g/mol, XLogP of 5.83, 8 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]-2-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 19628301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).