8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H21ClF3N3O3 — CID 10225448

IUPAC8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NOC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1
InChIInChI=1S/C20H21ClF3N3O3/c21-15-4-3-13(20(22,23)24)9-14(15)18(29)27-7-5-19(6-8-27)10-16(26-30-19)17(28)25-11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2,(H,25,28)
InChIKeyCOHFZGQIJDTESS-UHFFFAOYSA-N
MW443.85 g/mol
LogP3.64
Rot. Bonds4

About 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 10225448) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID10225448
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC Name8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NOC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1
InChIInChI=1S/C20H21ClF3N3O3/c21-15-4-3-13(20(22,23)24)9-14(15)18(29)27-7-5-19(6-8-27)10-16(26-30-19)17(28)25-11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2,(H,25,28)
InChIKeyCOHFZGQIJDTESS-UHFFFAOYSA-N
XLogP3.64
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 10225448) is 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCC1CC1)C1=NOC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)C1.
What is the InChIKey of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is COHFZGQIJDTESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c21-15-4-3-13(20(22,23)24)9-14(15)18(29)27-7-5-19(6-8-27)10-16(26-30-19)17(28)25-11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2,(H,25,28).
What are the key properties of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 443.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 10225448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).