(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

C21H25ClFN3O2 — CID 25329070

IUPAC(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClFN3O2/c1-15(21(27)24-19-8-7-17(23)13-18(19)22)25(2)14-16-5-3-4-6-20(16)26-9-11-28-12-10-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyIIHHONKFTAYXLG-OAHLLOKOSA-N
MW405.90 g/mol
LogP3.77
Rot. Bonds6

About (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (PubChem CID 25329070) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
PubChem CID25329070
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25ClFN3O2/c1-15(21(27)24-19-8-7-17(23)13-18(19)22)25(2)14-16-5-3-4-6-20(16)26-9-11-28-12-10-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyIIHHONKFTAYXLG-OAHLLOKOSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (CID 25329070) is (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The InChIKey is IIHHONKFTAYXLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-15(21(27)24-19-8-7-17(23)13-18(19)22)25(2)14-16-5-3-4-6-20(16)26-9-11-28-12-10-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide has a molecular weight of 405.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 25329070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).