(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide

C20H18FN3O — CID 129479987

IUPAC(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide
SMILESCc1cc(F)ccc1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H18FN3O/c1-14-10-19(21)7-6-17(14)8-9-24-20(25)18(13-23)11-15-2-4-16(12-22)5-3-15/h2-7,10,18H,8-9,11H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyGCHIIGOWYNOMRJ-GOSISDBHSA-N
MW335.38 g/mol
LogP3.05
Rot. Bonds6

About (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide

(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide (PubChem CID 129479987) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide
PubChem CID129479987
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide
SMILESCc1cc(F)ccc1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H18FN3O/c1-14-10-19(21)7-6-17(14)8-9-24-20(25)18(13-23)11-15-2-4-16(12-22)5-3-15/h2-7,10,18H,8-9,11H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyGCHIIGOWYNOMRJ-GOSISDBHSA-N
XLogP3.05
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
2-cyano-3-(4-cyanophenyl)-N-(3-pyrimidin-2-yloxypropyl)propanamide
CID 126837181
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112697844
2-cyano-3-(4-cyanophenyl)propanoic acid
CID 91646199
(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
CID 103831842
3,3,3-trifluoro-2-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]propanenitrile
CID 103367404
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018515
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 113254028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide (CID 129479987) is (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide is Cc1cc(F)ccc1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide?
The InChIKey is GCHIIGOWYNOMRJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-10-19(21)7-6-17(14)8-9-24-20(25)18(13-23)11-15-2-4-16(12-22)5-3-15/h2-7,10,18H,8-9,11H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide?
(2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide has a molecular weight of 335.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-(4-cyanophenyl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 129479987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).