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Chemical ID: 7020269
Chemical ID:
7020269
Name [?]:
N-[(4-dimethylaminophenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C23H21F2N3O2/c1-28(2)16-13-11-15(12-14-16)21(26-22(29)17-7-3-5-9-19(17)24)27-23(30)18-8-4-6-10-20(18)25/h3-14,21H,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,16,26,17,27,15,25,18,28,6,8,5,9,7,4,14,24,19,29,10,12,22,20,30,11,21,2,13,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(22,23)(24,25)(26,27)(29,30)/gE:(1,2)/rA:30nCNCCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21F2N3O2 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65935 |
Area: | 628.09 |
Solvation: | -7.04291 |
Coulombic: | -56.5343 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.429 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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