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Chemical ID: 5901236
Chemical ID:
5901236
Name [?]:
N-[(3-fluorophenyl)carbamoylmethyl]cyclopentanecarboxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)CNC(=O)C2CCCC2
InChi [?]:
InChI=1/C14H17FN2O2/c15-11-6-3-7-12(8-11)17-13(18)9-16-14(19)10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,16,19,6,2,4,11,15,5,3,9,13,7,12,8,10,14/E:(1,2)(4,5)/rA:19nCCCCCCFNCOCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17FN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16232 |
Area: | 459.094 |
Solvation: | -3.31503 |
Coulombic: | -45.2281 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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