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Chemical ID: 6001967
Chemical ID:
6001967
Name [?]:
2-fluoro-N-isopropyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(C(C)C)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C16H18FN3O3/c1-10(2)20(16(22)12-6-4-5-7-13(12)17)9-15(21)18-14-8-11(3)23-19-14/h4-8,10H,9H2,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:13,14,1,19,20,18,21,3,10,12,2,17,22,4,8,15,23,7,5,11,9,16,6/E:(1,2)/rA:23nCCCCNONCOCNCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18FN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36195 |
Area: | 496.092 |
Solvation: | -5.04034 |
Coulombic: | -44.2094 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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