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Chemical ID: 5510124
Chemical ID:
5510124
Name [?]:
N-[1-(3,3-diphenylpropylcarbamoyl)-2-methyl-propyl]-2,6-difluoro-benzamide
SMILES [?]:
CC(C)C(C(=O)NCCC(c1ccccc1)c2ccccc2)NC(=O)c3c(cccc3F)F
InChi [?]:
InChI=1/C27H28F2N2O2/c1-18(2)25(31-26(32)24-22(28)14-9-15-23(24)29)27(33)30-17-16-21(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,21,25H,16-17H2,1-2H3,(H,30,33)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,3,14,20,13,15,19,21,29,12,16,18,22,28,30,9,8,2,11,17,10,27,31,26,4,24,5,33,32,7,23,25,6/E:(1,2)(3,4)(5,6,7,8)(10,11,12,13)(14,15)(19,20)(22,23)(28,29)/rA:33cCCCCCONCCCCCCCCCCCCCCCNCOCCCCCCFF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s4;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28F2N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4619 |
Area: | 692.894 |
Solvation: | -4.86046 |
Coulombic: | -53.8893 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 450.52 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.82 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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