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Chemical ID: 4442436
Chemical ID:
4442436
Name [?]:
N-(2-butanoylaminophenyl)-3-chloro-benzamide
SMILES [?]:
CCCC(=O)Nc1ccccc1NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H17ClN2O2/c1-2-6-16(21)19-14-9-3-4-10-15(14)20-17(22)12-7-5-8-13(18)11-12/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,18,3,17,19,8,11,21,16,20,7,12,4,14,22,6,13,5,15/rA:22nCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4602 |
Area: | 532.887 |
Solvation: | -2.86196 |
Coulombic: | -43.2361 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.782 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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