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Chemical ID: 5901240
Chemical ID:
5901240
Name [?]:
N-[(3-fluorophenyl)carbamoylmethyl]heptanamide
SMILES [?]:
CCCCCCC(=O)NCC(=O)Nc1cccc(c1)F
InChi [?]:
InChI=1/C15H21FN2O2/c1-2-3-4-5-9-14(19)17-11-15(20)18-13-8-6-7-12(16)10-13/h6-8,10H,2-5,9,11H2,1H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,16,17,15,6,19,10,18,14,7,11,20,9,13,8,12/rA:20nCCCCCCCONCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21FN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38494 |
Area: | 515.72 |
Solvation: | -3.50805 |
Coulombic: | -45.4778 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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