Chemical ID: 5892902

c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCC4)F
Chemical ID:
5892902
Name [?]:
5-(2-fluorobenzoyl)amino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCC4)F
InChi [?]:
InChI=1/C24H23FN4O2/c25-21-8-2-1-7-19(21)24(31)28-18-9-10-22(29-12-3-4-13-29)20(14-18)23(30)27-16-17-6-5-11-26-15-17/h1-2,5-11,14-15H,3-4,12-13,16H2,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,22,21,6,3,11,12,23,27,30,15,25,19,20,10,5,14,4,13,16,7,31,24,18,9,26,17,8/E:(3,4)(12,13)/rA:31nCCCCCCCONCCCCCCCONCCCCCNCNCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s13;s26;s27;s28;s26s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23FN4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.2376
Area:649.653
Solvation:-6.00376
Coulombic:-55.9932
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.464
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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