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Chemical ID: 3963632
Chemical ID:
3963632
Name [?]:
4-chloro-N-(5-cyclopropylcarbonylamino-2-pyridyl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cn2)NC(=O)C3CC3)Cl
InChi [?]:
InChI=1/C16H14ClN3O2/c17-12-5-3-11(4-6-12)16(22)20-14-8-7-13(9-18-14)19-15(21)10-1-2-10/h3-10H,1-2H2,(H,19,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:20,21,1,5,2,4,12,11,14,19,6,3,13,10,17,7,22,15,16,9,18,8/E:(1,2)(3,4)(5,6)/rA:22nCCCCCCCONCCCCCNNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;s19s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25501 |
Area: | 527.346 |
Solvation: | -3.92865 |
Coulombic: | -45.5951 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.754 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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