N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide

C25H22F3N3O2 — CID 168988913

IUPACN-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide
SMILESCOc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)ccc2N2C[C@H]3C[C@@H]2CN3)c1F
InChIInChI=1S/C25H22F3N3O2/c1-33-22-7-3-6-19(27)23(22)17-4-2-5-18(24(17)28)25(32)30-20-10-14(26)8-9-21(20)31-13-15-11-16(31)12-29-15/h2-10,15-16,29H,11-13H2,1H3,(H,30,32)/t15-,16-/m1/s1
InChIKeyAWAGQNHSUDQQMQ-HZPDHXFCSA-N
MW453.46 g/mol
LogP4.58
Rot. Bonds5

About N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide

N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide (PubChem CID 168988913) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide
PubChem CID168988913
Molecular FormulaC25H22F3N3O2
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC NameN-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide
SMILESCOc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)ccc2N2C[C@H]3C[C@@H]2CN3)c1F
InChIInChI=1S/C25H22F3N3O2/c1-33-22-7-3-6-19(27)23(22)17-4-2-5-18(24(17)28)25(32)30-20-10-14(26)8-9-21(20)31-13-15-11-16(31)12-29-15/h2-10,15-16,29H,11-13H2,1H3,(H,30,32)/t15-,16-/m1/s1
InChIKeyAWAGQNHSUDQQMQ-HZPDHXFCSA-N
XLogP4.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide 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

2-(3-chloro-2-fluoro-6-methoxyphenyl)-N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-3-fluoropyridine-4-carboxamide
CID 168988790
N-[5-cyano-2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446123
N-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-1,2-benzothiazol-2-ium-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 177108950
N-[4-[(4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2-dimethylbenzimidazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 170090312
tert-butyl (1R,4R)-5-[4-fluoro-2-[[6-(2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-2-carbonyl]amino]phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 175903968
N-[5-fluoro-2-[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139445980
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
2-(2-fluoro-6-methoxyphenyl)-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 139446103
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5-fluorophenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 171344643
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide (CID 168988913) is N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide is COc1cccc(F)c1-c1cccc(C(=O)Nc2cc(F)ccc2N2C[C@H]3C[C@@H]2CN3)c1F.
What is the InChIKey of N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide?
The InChIKey is AWAGQNHSUDQQMQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-33-22-7-3-6-19(27)23(22)17-4-2-5-18(24(17)28)25(32)30-20-10-14(26)8-9-21(20)31-13-15-11-16(31)12-29-15/h2-10,15-16,29H,11-13H2,1H3,(H,30,32)/t15-,16-/m1/s1.
What are the key properties of N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide?
N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide has a molecular weight of 453.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-fluorophenyl]-2-fluoro-3-(2-fluoro-6-methoxyphenyl)benzamide is sourced from PubChem (CID 168988913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).