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Chemical ID: 7481513
Chemical ID:
7481513
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C19H22ClNO3/c1-3-4-5-12-24-16-9-6-14(7-10-16)19(22)21-15-8-11-18(23-2)17(20)13-15/h6-11,13H,3-5,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,9,11,17,8,12,18,5,21,10,16,7,20,19,13,22,15,14,23,6/E:(6,7)(9,10)/rA:24nCCCCCOCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3298 |
Area: | 591.429 |
Solvation: | -4.45592 |
Coulombic: | -37.6963 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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