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Chemical ID: 6491623
Chemical ID:
6491623
Name [?]:
N-(3,4-dimethoxyphenyl)-4-fluoro-benzamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C15H14FNO3/c1-19-13-8-7-12(9-14(13)20-2)17-15(18)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,15,19,16,18,5,4,7,14,17,6,3,8,12,20,11,13,2,9/E:(3,4)(5,6)/rA:20nCOCCCCCCOCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.39057 |
Area: | 458.674 |
Solvation: | -6.07628 |
Coulombic: | -38.86 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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