N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide

C23H21ClFN3O3 — CID 656950

IUPACN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H21ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-14H,6-9,15H2,(H,27,29)
InChIKeyWDYHPKURZUGMIN-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.54
Rot. Bonds6

About N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide

N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide (PubChem CID 656950) has the molecular formula C23H21ClFN3O3 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide
PubChem CID656950
Molecular FormulaC23H21ClFN3O3
Molecular Weight441.89 g/mol
Exact Mass441.13
IUPAC NameN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H21ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-14H,6-9,15H2,(H,27,29)
InChIKeyWDYHPKURZUGMIN-UHFFFAOYSA-N
XLogP4.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 22052368
CID 22052368
CID 22052371
CID 22052371
CID 22052373
CID 22052373
CID 23396199
CID 23396199
CID 23396254
CID 23396254
CID 23396287
CID 23396287
CID 121231415
CID 121231415
CID 132256724
CID 132256724
CID 132256735
CID 132256735
CID 811100
CID 811100
CID 803928
CID 803928
CID 806456
CID 806456

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide (CID 656950) is N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide is O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide?
The InChIKey is WDYHPKURZUGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-14H,6-9,15H2,(H,27,29).
What are the key properties of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide?
N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide has a molecular weight of 441.89 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-3-fluoro-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 656950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).