Chemical ID: 3963632

c1cc(ccc1C(=O)Nc2ccc(cn2)NC(=O)C3CC3)Cl
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

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