(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide

C18H19BrN2O4 — CID 40572245

IUPAC(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
SMILESCO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O4/c1-12-8-9-15(14(19)10-12)25-11-16(22)20-21-18(23)17(24-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeySIUPPJRRFUIPEC-QGZVFWFLSA-N
MW407.26 g/mol
LogP2.67
Rot. Bonds6

About (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide

(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide (PubChem CID 40572245) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
PubChem CID40572245
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
SMILESCO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O4/c1-12-8-9-15(14(19)10-12)25-11-16(22)20-21-18(23)17(24-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeySIUPPJRRFUIPEC-QGZVFWFLSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.67
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-(2,4-dimethylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 4119313
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-methoxy-N'-[2-(2-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4166134
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
CID 4280301
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103153136
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide?
The IUPAC name of (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide (CID 40572245) is (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide.
What is the SMILES notation for (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide?
The canonical SMILES for (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide is CO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1Br)c1ccccc1.
What is the InChIKey of (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide?
The InChIKey is SIUPPJRRFUIPEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-12-8-9-15(14(19)10-12)25-11-16(22)20-21-18(23)17(24-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide?
(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide has a molecular weight of 407.26 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide is sourced from PubChem (CID 40572245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).