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Chemical ID: 4389696
Chemical ID:
4389696
Name [?]:
5-chloro-N-indan-5-yl-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccc3c(c2)CCC3)Cl
InChi [?]:
InChI=1/C17H16ClNO2/c1-21-16-8-6-13(18)10-15(16)17(20)19-14-7-5-11-3-2-4-12(11)9-14/h5-10H,2-4H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,14,5,13,4,17,7,15,16,6,12,8,3,9,21,11,10,2/rA:21nCOCCCCCCCONCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43719 |
Area: | 492.963 |
Solvation: | -3.88688 |
Coulombic: | -28.2896 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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