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Chemical ID: 6948650
Chemical ID:
6948650
Name [?]:
3-chloro-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H18ClNO/c1-3-12(2)15-9-4-5-10-16(15)19-17(20)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,7,8,16,15,17,6,9,19,3,14,18,5,10,12,20,11,13/rA:20cCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7214 |
Area: | 497.424 |
Solvation: | -1.71416 |
Coulombic: | -24.7802 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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