2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide

C24H27FN2O2 — CID 168967066

IUPAC2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1NC(=O)CC12CC(C1)C2
InChIInChI=1S/C24H27FN2O2/c1-15-7-20(27-5-6-29-21-9-19(25)4-3-18(21)14-27)8-16(2)23(15)26-22(28)13-24-10-17(11-24)12-24/h3-4,7-9,17H,5-6,10-14H2,1-2H3,(H,26,28)
InChIKeyCGZIPKOQOIFPPZ-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.97
Rot. Bonds4

About 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide

2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide (PubChem CID 168967066) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide
PubChem CID168967066
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide
SMILESCc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1NC(=O)CC12CC(C1)C2
InChIInChI=1S/C24H27FN2O2/c1-15-7-20(27-5-6-29-21-9-19(25)4-3-18(21)14-27)8-16(2)23(15)26-22(28)13-24-10-17(11-24)12-24/h3-4,7-9,17H,5-6,10-14H2,1-2H3,(H,26,28)
InChIKeyCGZIPKOQOIFPPZ-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide with MolForge

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Related Compounds

2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
CID 176738439
CID 176950572
CID 176950572
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
CID 24937204
N-[4-(7-fluoro-1,3-dihydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440588
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
2-(3,3-difluorocyclobutyl)-N-[4-[(7S)-7-(4-fluorophenyl)-1,4-oxazepan-4-yl]-2,6-dimethylphenyl]acetamide
CID 176712064
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
4-(3-fluorophenyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 138555750
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;N-[4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 89483270
(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 167948360
N-[4-(4,4-dideuterio-6-fluoro-1,3-dihydroisoquinolin-2-yl)-2-ethylsulfanyl-6-methylphenyl]-3,3-dimethylbutanamide
CID 168966964
N-[4-(7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440599

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide (CID 168967066) is 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide is Cc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1NC(=O)CC12CC(C1)C2.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide?
The InChIKey is CGZIPKOQOIFPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-15-7-20(27-5-6-29-21-9-19(25)4-3-18(21)14-27)8-16(2)23(15)26-22(28)13-24-10-17(11-24)12-24/h3-4,7-9,17H,5-6,10-14H2,1-2H3,(H,26,28).
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide?
2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide has a molecular weight of 394.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 168967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).