(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

C18H17BrCl2N2O4 — CID 2268092

IUPAC(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C18H17BrCl2N2O4/c1-10-7-13(4-5-14(10)19)26-9-17(24)22-23-18(25)11(2)27-16-6-3-12(20)8-15(16)21/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyKRXMXFGSCUQUIX-NSHDSACASA-N
MW476.15 g/mol
LogP4.06
Rot. Bonds6

About (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide

(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (PubChem CID 2268092) has the molecular formula C18H17BrCl2N2O4 and a molecular weight of 476.15 g/mol. Its IUPAC name is (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
PubChem CID2268092
Molecular FormulaC18H17BrCl2N2O4
Molecular Weight476.15 g/mol
Exact Mass473.97
IUPAC Name(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C18H17BrCl2N2O4/c1-10-7-13(4-5-14(10)19)26-9-17(24)22-23-18(25)11(2)27-16-6-3-12(20)8-15(16)21/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyKRXMXFGSCUQUIX-NSHDSACASA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.15
LogP ≤ 54.06
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-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid
CID 17358791
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide (CID 2268092) is (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
The InChIKey is KRXMXFGSCUQUIX-NSHDSACASA-N. The full InChI is InChI=1S/C18H17BrCl2N2O4/c1-10-7-13(4-5-14(10)19)26-9-17(24)22-23-18(25)11(2)27-16-6-3-12(20)8-15(16)21/h3-8,11H,9H2,1-2H3,(H,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide?
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide has a molecular weight of 476.15 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide is sourced from PubChem (CID 2268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).