3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide

C19H19ClN2O4 — CID 2108807

IUPAC3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H19ClN2O4/c20-15-4-1-3-14(11-15)19(24)22-21-18(23)13-6-8-16(9-7-13)26-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyPMKALYYIASKDJU-KRWDZBQOSA-N
MW374.82 g/mol
LogP2.97
Rot. Bonds5

About 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide

3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide (PubChem CID 2108807) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
PubChem CID2108807
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H19ClN2O4/c20-15-4-1-3-14(11-15)19(24)22-21-18(23)13-6-8-16(9-7-13)26-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyPMKALYYIASKDJU-KRWDZBQOSA-N
XLogP2.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.97
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'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222499
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46652833
3-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17222484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide (CID 2108807) is 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide is O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide?
The InChIKey is PMKALYYIASKDJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-15-4-1-3-14(11-15)19(24)22-21-18(23)13-6-8-16(9-7-13)26-12-17-5-2-10-25-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide?
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide has a molecular weight of 374.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide is sourced from PubChem (CID 2108807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).