N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide

C20H23ClN2O2 — CID 7600185

IUPACN'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)18(15-6-8-16(21)9-7-15)20(25)23-22-19(24)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyYCOJRNVPAJBVPS-SFHVURJKSA-N
MW358.87 g/mol
LogP4.16
Rot. Bonds4

About N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide

N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide (PubChem CID 7600185) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
PubChem CID7600185
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)18(15-6-8-16(21)9-7-15)20(25)23-22-19(24)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyYCOJRNVPAJBVPS-SFHVURJKSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]-2,4-dimethylbenzohydrazide
CID 7600183
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
CID 7601369
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide (CID 7600185) is N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(C)c1.
What is the InChIKey of N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is YCOJRNVPAJBVPS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12(2)18(15-6-8-16(21)9-7-15)20(25)23-22-19(24)17-10-5-13(3)11-14(17)4/h5-12,18H,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide?
N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 358.87 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 7600185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).