2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C21H23F2N3O3 — CID 24595815

IUPAC2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O3/c22-17-5-6-18(19(23)11-17)21(28)25-13-20(27)24-12-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11H,7-10,12-14H2,(H,24,27)(H,25,28)
InChIKeyDIDWBTZSCVZERR-UHFFFAOYSA-N
MW403.43 g/mol
LogP1.84
Rot. Bonds7

About 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 24595815) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID24595815
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O3/c22-17-5-6-18(19(23)11-17)21(28)25-13-20(27)24-12-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11H,7-10,12-14H2,(H,24,27)(H,25,28)
InChIKeyDIDWBTZSCVZERR-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 27168075
2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 30832263
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900100
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
CID 36758403
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 24596002
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 24595815) is 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is DIDWBTZSCVZERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-17-5-6-18(19(23)11-17)21(28)25-13-20(27)24-12-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11H,7-10,12-14H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24595815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).