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Chemical ID: 6875565
Chemical ID:
6875565
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(2-isopropylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(C)C
InChi [?]:
InChI=1/C25H25ClN2O3/c1-16(2)20-7-4-5-9-23(20)27-24(29)15-31-19-13-11-18(12-14-19)25(30)28-22-10-6-8-21(26)17(22)3/h4-14,16H,15H2,1-3H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:30,31,1,26,25,5,27,6,24,4,13,17,14,16,19,29,2,12,15,28,7,3,23,20,10,8,22,9,21,11,18/E:(1,2)(11,12)(13,14)/rA:31nCCCCCCCClNCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O3 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2282 |
Area: | 688.874 |
Solvation: | -4.99368 |
Coulombic: | -51.575 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.93 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.69 |
LogP (Chemaxon): | 4.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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