2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide

C12H16ClN3O2 — CID 9164025

IUPAC2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NN(C)C
InChIInChI=1S/C12H16ClN3O2/c1-8(11(17)15-16(2)3)14-12(18)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,14,18)(H,15,17)/t8-/m0/s1
InChIKeyUJVBFGDMBDVRFM-QMMMGPOBSA-N
MW269.73 g/mol
LogP1.05
Rot. Bonds4

About 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide (PubChem CID 9164025) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
PubChem CID9164025
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)NN(C)C
InChIInChI=1S/C12H16ClN3O2/c1-8(11(17)15-16(2)3)14-12(18)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,14,18)(H,15,17)/t8-/m0/s1
InChIKeyUJVBFGDMBDVRFM-QMMMGPOBSA-N
XLogP1.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
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2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide (CID 9164025) is 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)NN(C)C.
What is the InChIKey of 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide?
The InChIKey is UJVBFGDMBDVRFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(11(17)15-16(2)3)14-12(18)9-6-4-5-7-10(9)13/h4-8H,1-3H3,(H,14,18)(H,15,17)/t8-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 9164025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).