Chemical ID: 7020269

CN(C)c1ccc(cc1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
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

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