Chemical ID: 4680990

CCC(CO)NC(=O)c1cccc(c1)F
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

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