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

C19H17ClN4O4 — CID 9375775

IUPAC2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C19H17ClN4O4/c1-12(22-19(27)14-7-3-4-8-15(14)20)18(26)24-23-17(25)11-28-16-9-5-2-6-13(16)10-21/h2-9,12H,11H2,1H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyHOTWADIJLXCHGE-LBPRGKRZSA-N
MW400.82 g/mol
LogP1.56
Rot. Bonds6

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

2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 9375775) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID9375775
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccccc1C#N
InChIInChI=1S/C19H17ClN4O4/c1-12(22-19(27)14-7-3-4-8-15(14)20)18(26)24-23-17(25)11-28-16-9-5-2-6-13(16)10-21/h2-9,12H,11H2,1H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyHOTWADIJLXCHGE-LBPRGKRZSA-N
XLogP1.56
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55340875
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
CID 78610851
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 35946068
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 42933502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 9375775) is 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is HOTWADIJLXCHGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-12(22-19(27)14-7-3-4-8-15(14)20)18(26)24-23-17(25)11-28-16-9-5-2-6-13(16)10-21/h2-9,12H,11H2,1H3,(H,22,27)(H,23,25)(H,24,26)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 400.82 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 9375775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).