2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C19H19ClFN3O4 — CID 7613399

IUPAC2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C19H19ClFN3O4/c1-11(22-19(27)13-7-3-4-8-14(13)20)17(25)23-24-18(26)12(2)28-16-10-6-5-9-15(16)21/h3-12H,1-2H3,(H,22,27)(H,23,25)(H,24,26)/t11-,12+/m0/s1
InChIKeyILHHWCILTDNGJX-NWDGAFQWSA-N
MW407.83 g/mol
LogP2.21
Rot. Bonds6

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

2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 7613399) has the molecular formula C19H19ClFN3O4 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID7613399
Molecular FormulaC19H19ClFN3O4
Molecular Weight407.83 g/mol
Exact Mass407.10
IUPAC Name2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C19H19ClFN3O4/c1-11(22-19(27)13-7-3-4-8-14(13)20)17(25)23-24-18(26)12(2)28-16-10-6-5-9-15(16)21/h3-12H,1-2H3,(H,22,27)(H,23,25)(H,24,26)/t11-,12+/m0/s1
InChIKeyILHHWCILTDNGJX-NWDGAFQWSA-N
XLogP2.21
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 52.21
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-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 7613399) is 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F.
What is the InChIKey of 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is ILHHWCILTDNGJX-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H19ClFN3O4/c1-11(22-19(27)13-7-3-4-8-14(13)20)17(25)23-24-18(26)12(2)28-16-10-6-5-9-15(16)21/h3-12H,1-2H3,(H,22,27)(H,23,25)(H,24,26)/t11-,12+/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 407.83 g/mol, XLogP of 2.21, 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-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 7613399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).