2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide

C27H24F2N2O3 — CID 87056586

IUPAC2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)OC1(CCNCC1)CC2=O
InChIInChI=1S/C27H24F2N2O3/c1-16-13-20-23(32)15-27(9-11-30-12-10-27)34-24(20)14-19(16)17-5-7-18(8-6-17)31-26(33)25-21(28)3-2-4-22(25)29/h2-8,13-14,30H,9-12,15H2,1H3,(H,31,33)
InChIKeyMTOOMOKHAMILNT-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.28
Rot. Bonds3

About 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide

2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide (PubChem CID 87056586) has the molecular formula C27H24F2N2O3 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
PubChem CID87056586
Molecular FormulaC27H24F2N2O3
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)OC1(CCNCC1)CC2=O
InChIInChI=1S/C27H24F2N2O3/c1-16-13-20-23(32)15-27(9-11-30-12-10-27)34-24(20)14-19(16)17-5-7-18(8-6-17)31-26(33)25-21(28)3-2-4-22(25)29/h2-8,13-14,30H,9-12,15H2,1H3,(H,31,33)
InChIKeyMTOOMOKHAMILNT-UHFFFAOYSA-N
XLogP5.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,1'-cyclobutane]-7-yl)phenyl]benzamide
CID 87056429
azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
CID 118473087
N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
CID 86763757
2,6-difluoro-N-[5-(7-methyl-4-oxo-2,3-dihydrochromen-6-yl)-2-pyridinyl]benzamide
CID 58486710
N-(6-bromo-3-pyridinyl)-2,6-difluorobenzamide;2,6-difluoro-N-[6-(2,2,6-trimethyl-4-oxo-3H-chromen-7-yl)-3-pyridinyl]benzamide;2,2,6-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-chromen-4-one
CID 158271183
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
7-[5-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]-6-methylspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 87057492

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide (CID 87056586) is 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)OC1(CCNCC1)CC2=O.
What is the InChIKey of 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide?
The InChIKey is MTOOMOKHAMILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O3/c1-16-13-20-23(32)15-27(9-11-30-12-10-27)34-24(20)14-19(16)17-5-7-18(8-6-17)31-26(33)25-21(28)3-2-4-22(25)29/h2-8,13-14,30H,9-12,15H2,1H3,(H,31,33).
What are the key properties of 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide?
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide has a molecular weight of 462.50 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide is sourced from PubChem (CID 87056586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).