N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide

C21H18ClFN4O3 — CID 53335643

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1
InChIInChI=1S/C21H18ClFN4O3/c22-17-13-15(3-6-18(17)23)26-20(28)14-1-4-16(5-2-14)30-21-19(24-7-8-25-21)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28)
InChIKeyKEHBTBFVVZOCQW-UHFFFAOYSA-N
MW428.85 g/mol
LogP4.15
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide

N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide (PubChem CID 53335643) has the molecular formula C21H18ClFN4O3 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
PubChem CID53335643
Molecular FormulaC21H18ClFN4O3
Molecular Weight428.85 g/mol
Exact Mass428.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1
InChIInChI=1S/C21H18ClFN4O3/c22-17-13-15(3-6-18(17)23)26-20(28)14-1-4-16(5-2-14)30-21-19(24-7-8-25-21)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28)
InChIKeyKEHBTBFVVZOCQW-UHFFFAOYSA-N
XLogP4.15
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-morpholin-4-ylpyrazin-2-yl)oxy-N-phenylbenzamide
CID 53335632
N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335650
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55962909
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide (CID 53335643) is N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The InChIKey is KEHBTBFVVZOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O3/c22-17-13-15(3-6-18(17)23)26-20(28)14-1-4-16(5-2-14)30-21-19(24-7-8-25-21)27-9-11-29-12-10-27/h1-8,13H,9-12H2,(H,26,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide has a molecular weight of 428.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 53335643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).