N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

C17H15F2N3O — CID 9369777

IUPACN-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O/c1-11(15-6-5-13(18)8-16(15)19)21-10-17(23)22-14-4-2-3-12(7-14)9-20/h2-8,11,21H,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyZFSVYSYVISNYLC-LLVKDONJSA-N
MW315.32 g/mol
LogP3.13
Rot. Bonds5

About N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9369777) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9369777
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N3O/c1-11(15-6-5-13(18)8-16(15)19)21-10-17(23)22-14-4-2-3-12(7-14)9-20/h2-8,11,21H,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyZFSVYSYVISNYLC-LLVKDONJSA-N
XLogP3.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
N-(3-cyanophenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377550
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (CID 9369777) is N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1F.
What is the InChIKey of N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is ZFSVYSYVISNYLC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-11(15-6-5-13(18)8-16(15)19)21-10-17(23)22-14-4-2-3-12(7-14)9-20/h2-8,11,21H,10H2,1H3,(H,22,23)/t11-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9369777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).