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Chemical ID: 7348297
Chemical ID:
7348297
Name [?]:
4-chloro-N-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]ethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCCC(=O)Nc2ccc(cc2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H14ClF3N2O2/c18-13-5-1-11(2-6-13)16(25)22-10-9-15(24)23-14-7-3-12(4-8-14)17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,17,19,2,4,16,20,11,10,6,18,3,15,12,7,21,25,22,23,24,9,14,13,8/E:(1,2)(3,4)(5,6)(7,8)(19,20,21)/rA:25nCCCCCCCONCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClF3N2O2 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2551 |
Area: | 571.08 |
Solvation: | -4.0219 |
Coulombic: | -61.1314 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.753 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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