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

C20H21ClF3N3O3 — CID 90862289

IUPAC8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=CC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)ON1
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/h3-4,9-10,12,26H,1-2,5-8,11H2,(H,25,28)
InChIKeyLZVYWOPLILROHV-UHFFFAOYSA-N
MW443.85 g/mol
LogP3.28
Rot. Bonds4

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

8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90862289) 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-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90862289
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-3-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=CC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)ON1
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/h3-4,9-10,12,26H,1-2,5-8,11H2,(H,25,28)
InChIKeyLZVYWOPLILROHV-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Related Compounds

3-[1-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 24817126
2-chloro-N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]-5-(trifluoromethyl)benzamide
CID 508770
8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 10225448
N-(1-butyl-5,6-dimethyl-2-oxopyridin-3-yl)-2-chloro-5-(trifluoromethyl)benzamide
CID 23587982
2-Amino-1-[4-(2-chloro-5-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone
CID 66953444
4-[4-Chloro-3-(trifluoromethyl)benzoyl]piperazin-2-one
CID 67989663
4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-3-(trifluoromethyl)benzamide
CID 68065469
2-chloro-N-[(1-methyl-1-oxidopiperidin-1-ium-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 87695964
Ethyl 3-[[8-(6-chloro-2-fluoro-3-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carbonyl]amino]propanoate
CID 90953095
N-benzyl-8-(3-chloro-4-fluorobenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91064260
N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91474571
N-(cyclopropylmethyl)-8-[3-fluoro-4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91505224

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-3-ene-3-carboxamide?
The IUPAC name of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90862289) is 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-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-3-ene-3-carboxamide?
The canonical SMILES for 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCC1CC1)C1=CC2(CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)ON1.
What is the InChIKey of 8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is LZVYWOPLILROHV-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/h3-4,9-10,12,26H,1-2,5-8,11H2,(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-3-ene-3-carboxamide?
8-[2-chloro-5-(trifluoromethyl)benzoyl]-N-(cyclopropylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 443.85 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 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-3-ene-3-carboxamide is sourced from PubChem (CID 90862289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).