2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide

C16H18ClN5O2 — CID 30131687

IUPAC2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN5O2/c1-9-8-10(2)19-16(18-9)22-21-14(23)11(3)20-15(24)12-6-4-5-7-13(12)17/h4-8,11H,1-3H3,(H,20,24)(H,21,23)(H,18,19,22)/t11-/m1/s1
InChIKeyNIHGHYGZWILUGR-LLVKDONJSA-N
MW347.81 g/mol
LogP2.01
Rot. Bonds5

About 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 30131687) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID30131687
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN5O2/c1-9-8-10(2)19-16(18-9)22-21-14(23)11(3)20-15(24)12-6-4-5-7-13(12)17/h4-8,11H,1-3H3,(H,20,24)(H,21,23)(H,18,19,22)/t11-/m1/s1
InChIKeyNIHGHYGZWILUGR-LLVKDONJSA-N
XLogP2.01
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.01
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

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2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
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2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111115939
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 30131687) is 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide is Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is NIHGHYGZWILUGR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-9-8-10(2)19-16(18-9)22-21-14(23)11(3)20-15(24)12-6-4-5-7-13(12)17/h4-8,11H,1-3H3,(H,20,24)(H,21,23)(H,18,19,22)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 347.81 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 30131687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).