(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide

C14H17ClN2O4 — CID 774185

IUPAC(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C14H17ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyBLJWDOXVPYZWBN-GFCCVEGCSA-N
MW312.75 g/mol
LogP1.35
Rot. Bonds4

About (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide

(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide (PubChem CID 774185) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
PubChem CID774185
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CCCO1
InChIInChI=1S/C14H17ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m1/s1
InChIKeyBLJWDOXVPYZWBN-GFCCVEGCSA-N
XLogP1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 2873188
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
(3R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7729139
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N'-(2-naphthalen-1-yloxyacetyl)oxolane-2-carbohydrazide
CID 2870823
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide (CID 774185) is (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide?
The InChIKey is BLJWDOXVPYZWBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide?
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide has a molecular weight of 312.75 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).