N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C16H15ClN4O3 — CID 4660966

IUPACN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H15ClN4O3/c17-12-7-11(4-3-10(12)8-18)19-13(22)9-21-14(23)16(20-15(21)24)5-1-2-6-16/h3-4,7H,1-2,5-6,9H2,(H,19,22)(H,20,24)
InChIKeyBXGBZXCSCDLFAO-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.01
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 4660966) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID4660966
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C16H15ClN4O3/c17-12-7-11(4-3-10(12)8-18)19-13(22)9-21-14(23)16(20-15(21)24)5-1-2-6-16/h3-4,7H,1-2,5-6,9H2,(H,19,22)(H,20,24)
InChIKeyBXGBZXCSCDLFAO-UHFFFAOYSA-N
XLogP2.01
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 4660966) is N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is BXGBZXCSCDLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-12-7-11(4-3-10(12)8-18)19-13(22)9-21-14(23)16(20-15(21)24)5-1-2-6-16/h3-4,7H,1-2,5-6,9H2,(H,19,22)(H,20,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 4660966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).