N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide

C17H19ClN2O3 — CID 7809092

IUPACN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H19ClN2O3/c1-10(2)15(12-4-6-13(18)7-5-12)17(22)20-19-16(21)14-8-9-23-11(14)3/h4-10,15H,1-3H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyGZLPAMLOUHDERV-OAHLLOKOSA-N
MW334.80 g/mol
LogP3.44
Rot. Bonds4

About N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 7809092) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
PubChem CID7809092
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H19ClN2O3/c1-10(2)15(12-4-6-13(18)7-5-12)17(22)20-19-16(21)14-8-9-23-11(14)3/h4-10,15H,1-3H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyGZLPAMLOUHDERV-OAHLLOKOSA-N
XLogP3.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.44
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

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
CID 7600183
N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
CID 7600185
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
CID 7601369
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664310
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
N-iodo-2-methylfuran-3-carboxamide
CID 170236265

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide (CID 7809092) is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is GZLPAMLOUHDERV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10(2)15(12-4-6-13(18)7-5-12)17(22)20-19-16(21)14-8-9-23-11(14)3/h4-10,15H,1-3H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide?
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 334.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 7809092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).