N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide

C12H13ClN2O2 — CID 142513632

IUPACN-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide
SMILESNC1C=C(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H13ClN2O2/c13-8-1-3-11(4-2-8)17-7-12(16)15-10-5-9(14)6-10/h1-5,9H,6-7,14H2,(H,15,16)
InChIKeyFGHODYMWPHEKKS-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.45
Rot. Bonds4

About N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide

N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 142513632) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID142513632
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide
SMILESNC1C=C(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H13ClN2O2/c13-8-1-3-11(4-2-8)17-7-12(16)15-10-5-9(14)6-10/h1-5,9H,6-7,14H2,(H,15,16)
InChIKeyFGHODYMWPHEKKS-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane
CID 142513620
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide (CID 142513632) is N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide is NC1C=C(NC(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is FGHODYMWPHEKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-1-3-11(4-2-8)17-7-12(16)15-10-5-9(14)6-10/h1-5,9H,6-7,14H2,(H,15,16).
What are the key properties of N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide?
N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 142513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).