3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide

C18H19ClN2O3 — CID 40614005

IUPAC3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-12(2)24-16-6-4-5-14(11-16)18(23)21-20-17(22)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyOPSDYHGUHOGZRK-LBPRGKRZSA-N
MW346.81 g/mol
LogP3.59
Rot. Bonds5

About 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide

3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide (PubChem CID 40614005) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
PubChem CID40614005
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-12(2)24-16-6-4-5-14(11-16)18(23)21-20-17(22)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyOPSDYHGUHOGZRK-LBPRGKRZSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.59
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

3-[(2S)-butan-2-yl]oxy-N-[[(4-chlorobenzoyl)amino]carbamothioyl]benzamide
CID 40614004
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
4-chloro-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928678
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
3-butan-2-yloxy-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17150253
3-butan-2-yloxy-N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 17150097

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide?
The IUPAC name of 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide (CID 40614005) is 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide?
The canonical SMILES for 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide is CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide?
The InChIKey is OPSDYHGUHOGZRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-12(2)24-16-6-4-5-14(11-16)18(23)21-20-17(22)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide?
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 40614005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).