Chemical ID: 5892967

c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4)F
Chemical ID:
5892967
Name [?]:
5-(2-fluorobenzoyl)amino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4)F
InChi [?]:
InChI=1/C23H26FN3O3/c24-20-8-2-1-7-18(20)23(29)26-16-9-10-21(27-11-3-4-12-27)19(14-16)22(28)25-15-17-6-5-13-30-17/h1-2,7-10,14,17H,3-6,11-13,15H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,27,28,22,21,6,3,11,12,26,29,23,15,19,10,20,5,14,4,13,16,7,30,18,9,25,17,8,24/E:(3,4)(11,12)/rA:30cCCCCCCCONCCCCCCCONCCCCCONCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s25s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26FN3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.46669
Area:637.511
Solvation:-6.47109
Coulombic:-59.1356
Bond Count [?]
All:33
Single:25
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.469
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.63
LogP (Chemaxon):2.96

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Descriptor Annotations

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