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

3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052368
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052373
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396254
4-chloro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396287
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
Nlx204; nlx204
CID 132256735
N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
CID 811100
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
2-chloro-N-[4-(3-pyridinyloxy)phenyl]benzamide
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).