(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide

C16H13ClFN3O — CID 122148512

IUPAC(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide
SMILESN#Cc1c(F)cccc1N[C@H](CC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O/c17-11-4-1-3-10(7-11)15(8-16(20)22)21-14-6-2-5-13(18)12(14)9-19/h1-7,15,21H,8H2,(H2,20,22)/t15-/m1/s1
InChIKeyAZJUXSFEDAERFT-OAHLLOKOSA-N
MW317.75 g/mol
LogP3.38
Rot. Bonds5

About (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide

(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide (PubChem CID 122148512) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide
PubChem CID122148512
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide
SMILESN#Cc1c(F)cccc1N[C@H](CC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClFN3O/c17-11-4-1-3-10(7-11)15(8-16(20)22)21-14-6-2-5-13(18)12(14)9-19/h1-7,15,21H,8H2,(H2,20,22)/t15-/m1/s1
InChIKeyAZJUXSFEDAERFT-OAHLLOKOSA-N
XLogP3.38
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871194
2-[1-(3-bromophenyl)propylamino]-6-fluorobenzonitrile
CID 43778312
(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
3-(2-cyano-3-fluoroanilino)-2-phenylpropanoic acid
CID 64566700
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-(3-chlorophenyl)-1-(4-chlorophenyl)-3-(3,4,5-trifluoro-2-methylanilino)propan-1-one
CID 141204479

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide?
The IUPAC name of (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide (CID 122148512) is (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide is N#Cc1c(F)cccc1N[C@H](CC(N)=O)c1cccc(Cl)c1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide?
The InChIKey is AZJUXSFEDAERFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-11-4-1-3-10(7-11)15(8-16(20)22)21-14-6-2-5-13(18)12(14)9-19/h1-7,15,21H,8H2,(H2,20,22)/t15-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide?
(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide has a molecular weight of 317.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide is sourced from PubChem (CID 122148512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).