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Chemical ID: 7273809
Chemical ID:
7273809
Name [?]:
2-fluoro-N-(2-methoxyethylcarbamoylmethyl)benzamide
SMILES [?]:
COCCNC(=O)CNC(=O)c1ccccc1F
InChi [?]:
InChI=1/C12H15FN2O3/c1-18-7-6-14-11(16)8-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,4,3,8,12,17,6,10,18,5,9,7,11,2/rA:18nCOCCNCOCNCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15FN2O3 |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.12496 |
Area: | 459.283 |
Solvation: | -5.35713 |
Coulombic: | -53.4011 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 254.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.57 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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