2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C18H17ClFN3O4 — CID 7613432

IUPAC2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O4/c1-11(21-18(26)14-4-2-3-5-15(14)19)17(25)23-22-16(24)10-27-13-8-6-12(20)7-9-13/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeySOXJCKGNRCDVDI-NSHDSACASA-N
MW393.80 g/mol
LogP1.82
Rot. Bonds6

About 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 7613432) has the molecular formula C18H17ClFN3O4 and a molecular weight of 393.80 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID7613432
Molecular FormulaC18H17ClFN3O4
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O4/c1-11(21-18(26)14-4-2-3-5-15(14)19)17(25)23-22-16(24)10-27-13-8-6-12(20)7-9-13/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeySOXJCKGNRCDVDI-NSHDSACASA-N
XLogP1.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 7613432) is 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is SOXJCKGNRCDVDI-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClFN3O4/c1-11(21-18(26)14-4-2-3-5-15(14)19)17(25)23-22-16(24)10-27-13-8-6-12(20)7-9-13/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 393.80 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 7613432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).