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

C18H19ClN2O2 — CID 7601517

IUPACN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
SMILESCC(C)[C@@H](C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)16(13-8-10-15(19)11-9-13)18(23)21-20-17(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyCLOXQNSGNJGPPL-MRXNPFEDSA-N
MW330.82 g/mol
LogP3.54
Rot. Bonds4

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

N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide (PubChem CID 7601517) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
PubChem CID7601517
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
SMILESCC(C)[C@@H](C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)16(13-8-10-15(19)11-9-13)18(23)21-20-17(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyCLOXQNSGNJGPPL-MRXNPFEDSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.54
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]-4-ethylbenzohydrazide
CID 7601369
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
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
methyl N-[[2-(2-benzoylhydrazinyl)-1-(4-chlorophenyl)-2-oxoethyl]amino]carbamate
CID 100965257
N'-[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]-2,4-dimethylbenzohydrazide
CID 7600185
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
N'-(2-amino-3-methylbutanoyl)benzohydrazide
CID 82116600
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide (CID 7601517) is N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide is CC(C)[C@@H](C(=O)NNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide?
The InChIKey is CLOXQNSGNJGPPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)16(13-8-10-15(19)11-9-13)18(23)21-20-17(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide?
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide has a molecular weight of 330.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide is sourced from PubChem (CID 7601517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).