2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide

C16H13ClFN3O5 — CID 9091707

IUPAC2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H13ClFN3O5/c1-9(26-12-5-2-10(18)3-6-12)15(22)19-20-16(23)13-7-4-11(21(24)25)8-14(13)17/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyACWANZGQXUKYMW-VIFPVBQESA-N
MW381.75 g/mol
LogP2.62
Rot. Bonds5

About 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide

2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide (PubChem CID 9091707) has the molecular formula C16H13ClFN3O5 and a molecular weight of 381.75 g/mol. Its IUPAC name is 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
PubChem CID9091707
Molecular FormulaC16H13ClFN3O5
Molecular Weight381.75 g/mol
Exact Mass381.05
IUPAC Name2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H13ClFN3O5/c1-9(26-12-5-2-10(18)3-6-12)15(22)19-20-16(23)13-7-4-11(21(24)25)8-14(13)17/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1
InChIKeyACWANZGQXUKYMW-VIFPVBQESA-N
XLogP2.62
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 8960583
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
CID 9160118
2-(4-fluorophenoxy)-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]propanehydrazide
CID 55376670
4-chloro-N,N-diethyl-3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 43004132
2-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-nitrobenzamide
CID 42948348
2-chloro-4-nitro-N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]benzamide
CID 55972675
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate
CID 55324679
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206008
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide (CID 9091707) is 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
The InChIKey is ACWANZGQXUKYMW-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13ClFN3O5/c1-9(26-12-5-2-10(18)3-6-12)15(22)19-20-16(23)13-7-4-11(21(24)25)8-14(13)17/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m0/s1.
What are the key properties of 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide?
2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide has a molecular weight of 381.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 9091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).