N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide

C30H25FN4O2 — CID 59558582

IUPACN-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)c1
InChIInChI=1S/C30H25FN4O2/c31-23-9-7-18(28(36)33-15-17-4-2-1-3-5-17)12-22(23)24-13-21-19(16-32-24)6-8-20-26-25(34-27(20)21)14-30(10-11-30)35-29(26)37/h1-5,7,9,12-13,16,34H,6,8,10-11,14-15H2,(H,33,36)(H,35,37)
InChIKeyJGNMUNLJRGDIBD-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide

N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide (PubChem CID 59558582) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide
PubChem CID59558582
Molecular FormulaC30H25FN4O2
Molecular Weight492.55 g/mol
Exact Mass492.20
IUPAC NameN-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(F)c(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)c1
InChIInChI=1S/C30H25FN4O2/c31-23-9-7-18(28(36)33-15-17-4-2-1-3-5-17)12-22(23)24-13-21-19(16-32-24)6-8-20-26-25(34-27(20)21)14-30(10-11-30)35-29(26)37/h1-5,7,9,12-13,16,34H,6,8,10-11,14-15H2,(H,33,36)(H,35,37)
InChIKeyJGNMUNLJRGDIBD-UHFFFAOYSA-N
XLogP4.73
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide with MolForge

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Related Compounds

4-[4-(3-hydroxy-3-methylbutyl)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one;4-(3-hydroxy-3-methylbut-1-ynyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 158106602
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-(2-fluorophenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,4'-piperidine]-12-one
CID 56662943
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CID 59851790
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CID 53108687
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
N-benzylquinazoline-6-carboxamide
CID 141061658
N-benzyl-3-fluoro-4-nitrobenzamide
CID 62682905
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide?
The IUPAC name of N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide (CID 59558582) is N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide.
What is the SMILES notation for N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide?
The canonical SMILES for N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide is O=C(NCc1ccccc1)c1ccc(F)c(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C3)c1.
What is the InChIKey of N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide?
The InChIKey is JGNMUNLJRGDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c31-23-9-7-18(28(36)33-15-17-4-2-1-3-5-17)12-22(23)24-13-21-19(16-32-24)6-8-20-26-25(34-27(20)21)14-30(10-11-30)35-29(26)37/h1-5,7,9,12-13,16,34H,6,8,10-11,14-15H2,(H,33,36)(H,35,37).
What are the key properties of N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide?
N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide has a molecular weight of 492.55 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzamide is sourced from PubChem (CID 59558582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).