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Chemical ID: 5901115
Chemical ID:
5901115
Name [?]:
3-chloro-N-[(4-fluorophenyl)carbamoylmethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)NCC(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C13H16ClFN2O2/c1-13(2,8-14)12(19)16-7-11(18)17-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,14,18,9,4,16,13,10,6,2,5,19,8,12,11,7/E:(1,2)(3,4)(5,6)/rA:19nCCCCClCONCCONCCCCCCF/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClFN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48094 |
Area: | 477.243 |
Solvation: | -3.45013 |
Coulombic: | -45.6503 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.73 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.7 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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