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

C18H19ClN2O3 — CID 7535126

IUPACN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)[C@@H](C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)16(12-7-9-13(19)10-8-12)18(24)21-20-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyWHROLQVPMCVHRK-MRXNPFEDSA-N
MW346.81 g/mol
LogP3.25
Rot. Bonds4

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

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide (PubChem CID 7535126) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
PubChem CID7535126
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)[C@@H](C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)16(12-7-9-13(19)10-8-12)18(24)21-20-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyWHROLQVPMCVHRK-MRXNPFEDSA-N
XLogP3.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.25
H-Bond Donors ≤ 53
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]benzohydrazide
CID 7601517
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
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'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
CID 7601369
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
CID 59052450

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide (CID 7535126) is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide is CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide?
The InChIKey is WHROLQVPMCVHRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)16(12-7-9-13(19)10-8-12)18(24)21-20-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide?
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 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-hydroxybenzohydrazide is sourced from PubChem (CID 7535126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).