Chemical ID: 4756979

c1cc(ccc1CN2CC(CC2=O)C(=O)Nc3ccc(cc3)Cl)F
Chemical ID:
4756979
Name [?]:
N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(ccc1CN2CC(CC2=O)C(=O)Nc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C18H16ClFN2O2/c19-14-3-7-16(8-4-14)21-18(24)13-9-17(23)22(11-13)10-12-1-5-15(20)6-2-12/h1-8,13H,9-11H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,19,21,2,4,18,22,11,7,9,6,10,20,3,17,12,14,23,24,16,8,13,15/E:(1,2)(3,4)(5,6)(7,8)/rA:24cCCCCCCCNCCCCOCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClFN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.37012
Area:546.027
Solvation:-4.28055
Coulombic:-39.8814
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.783
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):3.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue