N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C19H21ClN4O3 — CID 9362505

IUPACN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c20-15-10-14(7-6-13(15)11-21)22-16(25)12-24-17(26)19(23-18(24)27)8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,12H2,(H,22,25)(H,23,27)
InChIKeyZXHBRJBYSCMKPH-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.19
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 9362505) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID9362505
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c20-15-10-14(7-6-13(15)11-21)22-16(25)12-24-17(26)19(23-18(24)27)8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,12H2,(H,22,25)(H,23,27)
InChIKeyZXHBRJBYSCMKPH-UHFFFAOYSA-N
XLogP3.19
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.19
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[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 9362505) is N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is ZXHBRJBYSCMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-15-10-14(7-6-13(15)11-21)22-16(25)12-24-17(26)19(23-18(24)27)8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,12H2,(H,22,25)(H,23,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 388.86 g/mol, XLogP of 3.19, 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[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 9362505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).