2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide

C22H17ClFN5O2 — CID 155927903

IUPAC2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide
SMILESCn1ccc(Nc2nccc(Oc3ccc(C(=O)Nc4cccc(F)c4)c(Cl)c3)n2)c1
InChIInChI=1S/C22H17ClFN5O2/c1-29-10-8-16(13-29)27-22-25-9-7-20(28-22)31-17-5-6-18(19(23)12-17)21(30)26-15-4-2-3-14(24)11-15/h2-13H,1H3,(H,26,30)(H,25,27,28)
InChIKeyFKQWGGBXOFAGQC-UHFFFAOYSA-N
MW437.86 g/mol
LogP5.40
Rot. Bonds6

About 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide

2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide (PubChem CID 155927903) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide
PubChem CID155927903
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide
SMILESCn1ccc(Nc2nccc(Oc3ccc(C(=O)Nc4cccc(F)c4)c(Cl)c3)n2)c1
InChIInChI=1S/C22H17ClFN5O2/c1-29-10-8-16(13-29)27-22-25-9-7-20(28-22)31-17-5-6-18(19(23)12-17)21(30)26-15-4-2-3-14(24)11-15/h2-13H,1H3,(H,26,30)(H,25,27,28)
InChIKeyFKQWGGBXOFAGQC-UHFFFAOYSA-N
XLogP5.40
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.86
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide 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

4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
N-[4-chloro-2-methyl-5-(1-methyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25254030
N-[4-chloro-5-(1,2-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233592
N-[4-chloro-2-methyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 142702918
N-[3-chloro-4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide
CID 165176912
N-[3-chloro-4-[4-[2-(methylamino)ethyl]piperazine-1-carbonyl]phenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide
CID 165176947
Azole, 17
CID 53348142
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 3588219
6-[4-(4-Fluorophenoxy)phenyl]-4-(3-imidazol-1-ylpropylamino)pyridine-2-carboxamide
CID 56943491
US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperidyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-4-methoxy-benzamide
CID 73672942
4-((2-(6-chloropyridin-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)benzamide
CID 25102758
2-chloro-6-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzamide
CID 7080279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide (CID 155927903) is 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide is Cn1ccc(Nc2nccc(Oc3ccc(C(=O)Nc4cccc(F)c4)c(Cl)c3)n2)c1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide?
The InChIKey is FKQWGGBXOFAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-29-10-8-16(13-29)27-22-25-9-7-20(28-22)31-17-5-6-18(19(23)12-17)21(30)26-15-4-2-3-14(24)11-15/h2-13H,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide?
2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide has a molecular weight of 437.86 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-4-[2-[(1-methylpyrrol-3-yl)amino]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 155927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).