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Chemical ID: 4680990
Chemical ID:
4680990
Name [?]:
3-fluoro-N-[1-(hydroxymethyl)propyl]benzamide
SMILES [?]:
CCC(CO)NC(=O)c1cccc(c1)F
InChi [?]:
InChI=1/C11H14FNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,14,4,9,13,3,7,15,6,5,8/rA:15cCCCCONCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14FNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.44035 |
Area: | 388.791 |
Solvation: | -3.27941 |
Coulombic: | -42.9267 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 211.233 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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