Chemical ID: 6016999

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3
Chemical ID:
6016999
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H25FN2O3/c1-2-14-26(24(29)20-7-4-3-5-8-20)18-23(28)27(17-22-9-6-15-30-22)16-19-10-12-21(25)13-11-19/h3-13,15H,2,14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,20,26,30,19,11,15,12,14,3,21,9,17,5,10,25,13,18,6,23,16,4,8,7,24,22/E:(4,5)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCFCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25FN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1742
Area:606.061
Solvation:-4.97731
Coulombic:-46.8548
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:408.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.94
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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