5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide

C18H18ClFN2O4 — CID 9088683

IUPAC5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C18H18ClFN2O4/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(23)21-22-18(24)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyFILNVKLCKBDNHG-NSHDSACASA-N
MW380.80 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide

5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide (PubChem CID 9088683) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
PubChem CID9088683
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C18H18ClFN2O4/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(23)21-22-18(24)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyFILNVKLCKBDNHG-NSHDSACASA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 53.11
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

5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
1-(3-chloro-4-fluorophenyl)-3-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiourea
CID 8768139
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-[(2-fluorophenyl)methylsulfanyl]benzohydrazide
CID 41259338
2-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 8960583
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide (CID 9088683) is 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is FILNVKLCKBDNHG-NSHDSACASA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(23)21-22-18(24)15-10-12(19)4-9-16(15)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/t11-/m0/s1.
What are the key properties of 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide?
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 380.80 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 9088683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).