2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C16H21ClN4O4 — CID 9053234

IUPAC2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1
InChIInChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyYTOVZWYUUHQFEN-UHFFFAOYSA-N
MW368.82 g/mol
LogP0.08
Rot. Bonds8

About 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 9053234) has the molecular formula C16H21ClN4O4 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID9053234
Molecular FormulaC16H21ClN4O4
Molecular Weight368.82 g/mol
Exact Mass368.13
IUPAC Name2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1
InChIInChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyYTOVZWYUUHQFEN-UHFFFAOYSA-N
XLogP0.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 50.08
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

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-ethynylphenoxy)acetamide
CID 90446748
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8709687
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 9053234) is 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is YTOVZWYUUHQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O4/c1-21(8-14(22)18-12-4-5-12)9-15(23)19-20-16(24)10-25-13-6-2-11(17)3-7-13/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 368.82 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 9053234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).