N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide

C23H24ClF3N4O3 — CID 69317622

IUPACN-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide
SMILESNC=O.O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C22H21ClF3N3O2.CH3NO/c23-17-5-1-15(2-6-17)14-27-20(30)19-13-21(31-28-19)9-11-29(12-10-21)18-7-3-16(4-8-18)22(24,25)26;2-1-3/h1-8H,9-14H2,(H,27,30);1H,(H2,2,3)
InChIKeyKFJWOAVBFACKOZ-UHFFFAOYSA-N
MW496.92 g/mol
LogP3.89
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide

N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide (PubChem CID 69317622) has the molecular formula C23H24ClF3N4O3 and a molecular weight of 496.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide
PubChem CID69317622
Molecular FormulaC23H24ClF3N4O3
Molecular Weight496.92 g/mol
Exact Mass496.15
IUPAC NameN-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide
SMILESNC=O.O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C22H21ClF3N3O2.CH3NO/c23-17-5-1-15(2-6-17)14-27-20(30)19-13-21(31-28-19)9-11-29(12-10-21)18-7-3-16(4-8-18)22(24,25)26;2-1-3/h1-8H,9-14H2,(H,27,30);1H,(H2,2,3)
InChIKeyKFJWOAVBFACKOZ-UHFFFAOYSA-N
XLogP3.89
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-8-(3,4-dichlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69318265
azane;N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69316462
N-[(4-chlorophenyl)methyl]-8-[(4-fluorophenyl)carbamothioyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 87781131
N-[(4-chlorophenyl)methyl]-8-(pentylcarbamothioyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 16665192
N-[(4-chlorophenyl)methyl]-8-(3-morpholin-4-ylpropylcarbamothioyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 16665229
3-N-(2-tert-butyl-6-methylphenyl)-8-N-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxamide
CID 16665564
(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396115
N-[(4-fluorophenyl)methyl]-7-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155826788
8-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-N-[(3,4-dimethoxyphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxamide
CID 16665567
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
CID 67393220

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide (CID 69317622) is N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide is NC=O.O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide?
The InChIKey is KFJWOAVBFACKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O2.CH3NO/c23-17-5-1-15(2-6-17)14-27-20(30)19-13-21(31-28-19)9-11-29(12-10-21)18-7-3-16(4-8-18)22(24,25)26;2-1-3/h1-8H,9-14H2,(H,27,30);1H,(H2,2,3).
What are the key properties of N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide?
N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide has a molecular weight of 496.92 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;formamide is sourced from PubChem (CID 69317622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).