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Chemical ID: 7293416
Chemical ID:
7293416
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-cyclopentyl-acetamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)CC2CCCC2
InChi [?]:
InChI=1/C14H18ClNO2/c1-18-13-7-6-11(9-12(13)15)16-14(17)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,5,4,13,7,14,6,8,3,11,9,10,12,2/E:(2,3)(4,5)/rA:18nCOCCCCCCClNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.405 |
Area: | 457.911 |
Solvation: | -3.04277 |
Coulombic: | -28.0575 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.751 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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