N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide

C24H26ClFN4O3 — CID 156902353

IUPACN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc2F)c(C)c1Cl
InChIInChI=1S/C24H26ClFN4O3/c1-16-23(25)17(2)30(28-16)22-8-5-19(15-21(22)26)27-24(31)18-3-6-20(7-4-18)33-14-11-29-9-12-32-13-10-29/h3-8,15H,9-14H2,1-2H3,(H,27,31)
InChIKeyPCELIRDQVLLUSA-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.24
Rot. Bonds7

About N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide

N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 156902353) has the molecular formula C24H26ClFN4O3 and a molecular weight of 472.95 g/mol. Its IUPAC name is N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide
PubChem CID156902353
Molecular FormulaC24H26ClFN4O3
Molecular Weight472.95 g/mol
Exact Mass472.17
IUPAC NameN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCc1nn(-c2ccc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc2F)c(C)c1Cl
InChIInChI=1S/C24H26ClFN4O3/c1-16-23(25)17(2)30(28-16)22-8-5-19(15-21(22)26)27-24(31)18-3-6-20(7-4-18)33-14-11-29-9-12-32-13-10-29/h3-8,15H,9-14H2,1-2H3,(H,27,31)
InChIKeyPCELIRDQVLLUSA-UHFFFAOYSA-N
XLogP4.24
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide (CID 156902353) is N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide is Cc1nn(-c2ccc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc2F)c(C)c1Cl.
What is the InChIKey of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is PCELIRDQVLLUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O3/c1-16-23(25)17(2)30(28-16)22-8-5-19(15-21(22)26)27-24(31)18-3-6-20(7-4-18)33-14-11-29-9-12-32-13-10-29/h3-8,15H,9-14H2,1-2H3,(H,27,31).
What are the key properties of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide?
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 472.95 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 156902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).