N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide

C21H25F2N3O2 — CID 7496717

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCOCC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-25(2)16-8-6-15(7-9-16)19(26-10-12-28-13-11-26)14-24-21(27)20-17(22)4-3-5-18(20)23/h3-9,19H,10-14H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyAOVRCLPAXHWHFP-IBGZPJMESA-N
MW389.45 g/mol
LogP2.83
Rot. Bonds6

About N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide (PubChem CID 7496717) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
PubChem CID7496717
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCOCC2)cc1
InChIInChI=1S/C21H25F2N3O2/c1-25(2)16-8-6-15(7-9-16)19(26-10-12-28-13-11-26)14-24-21(27)20-17(22)4-3-5-18(20)23/h3-9,19H,10-14H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyAOVRCLPAXHWHFP-IBGZPJMESA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2,6-difluorobenzamide
CID 7496297
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7285631
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 43956151
3-bromo-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 29090501
2-chloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-fluorobenzamide
CID 30509465
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-fluorobenzamide
CID 7497127
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2,6-difluorobenzamide
CID 7496714

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide (CID 7496717) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide is CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide?
The InChIKey is AOVRCLPAXHWHFP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-25(2)16-8-6-15(7-9-16)19(26-10-12-28-13-11-26)14-24-21(27)20-17(22)4-3-5-18(20)23/h3-9,19H,10-14H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide has a molecular weight of 389.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 7496717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).