(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide

C19H20FN3O2 — CID 9432176

IUPAC(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1F
InChIInChI=1S/C19H20FN3O2/c1-13(19(24)22-16-6-4-5-14(9-16)11-21)23(2)12-15-7-8-18(25-3)17(20)10-15/h4-10,13H,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyURSFMXGFAXCWAA-CYBMUJFWSA-N
MW341.39 g/mol
LogP3.16
Rot. Bonds6

About (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide

(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 9432176) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID9432176
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1F
InChIInChI=1S/C19H20FN3O2/c1-13(19(24)22-16-6-4-5-14(9-16)11-21)23(2)12-15-7-8-18(25-3)17(20)10-15/h4-10,13H,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyURSFMXGFAXCWAA-CYBMUJFWSA-N
XLogP3.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46631362
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47091088
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9432531
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55628443

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide (CID 9432176) is (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1F.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is URSFMXGFAXCWAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(19(24)22-16-6-4-5-14(9-16)11-21)23(2)12-15-7-8-18(25-3)17(20)10-15/h4-10,13H,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 341.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9432176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).