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Chemical ID: 5780646
Chemical ID:
5780646
Name [?]:
N-(3-butylphenyl)-4-chloro-benzamide
SMILES [?]:
CCCCc1cccc(c1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO/c1-2-3-5-13-6-4-7-16(12-13)19-17(20)14-8-10-15(18)11-9-14/h4,6-12H,2-3,5H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,7,4,6,8,15,19,16,18,10,5,14,17,9,12,20,11,13/E:(8,9)(10,11)/rA:20nCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1182 |
Area: | 515.644 |
Solvation: | -1.77285 |
Coulombic: | -24.6912 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.65 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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