(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide

C17H16BrClN2O3 — CID 9371143

IUPAC(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-11(24-15-4-2-3-13(18)10-15)17(23)21-20-16(22)9-12-5-7-14(19)8-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeySQEVJHQJQCHVQK-NSHDSACASA-N
MW411.68 g/mol
LogP3.26
Rot. Bonds5

About (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide

(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide (PubChem CID 9371143) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
PubChem CID9371143
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC Name(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClN2O3/c1-11(24-15-4-2-3-13(18)10-15)17(23)21-20-16(22)9-12-5-7-14(19)8-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeySQEVJHQJQCHVQK-NSHDSACASA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
5-bromo-N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 55347873
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide (CID 9371143) is (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide is C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
The InChIKey is SQEVJHQJQCHVQK-NSHDSACASA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-11(24-15-4-2-3-13(18)10-15)17(23)21-20-16(22)9-12-5-7-14(19)8-6-12/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide?
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide has a molecular weight of 411.68 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 9371143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).