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Chemical ID: 3930069
Chemical ID:
3930069
Name [?]:
N-(6-cyclopropylcarbonylamino-3-pyridyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc(nc2)NC(=O)C3CC3
InChi [?]:
InChI=1/C16H14FN3O2/c17-12-3-1-2-11(8-12)16(22)19-13-6-7-14(18-9-13)20-15(21)10-4-5-10/h1-3,6-10H,4-5H2,(H,19,22)(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,12,13,4,16,20,3,5,11,14,18,8,7,15,10,17,19,9/E:(4,5)/rA:22nCCCCCCFCONCCCCNCNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58139 |
Area: | 498.316 |
Solvation: | -4.8765 |
Coulombic: | -48.0473 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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