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Chemical ID: 4242019
Chemical ID:
4242019
Name [?]:
2-chloro-N-[2-methoxy-4-(4-phenylbenzoyl)amino-phenyl]-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2ccccc2Cl)NC(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C27H21ClN2O3/c1-33-25-17-21(15-16-24(25)30-27(32)22-9-5-6-10-23(22)28)29-26(31)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-17H,1H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,14,15,29,33,13,16,24,26,23,27,6,7,4,28,25,22,5,12,17,8,3,20,10,18,19,9,21,11,2/E:(3,4)(7,8)(11,12)(13,14)/rA:33nCOCCCCCCNCOCCCCCCClNCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H21ClN2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7314 |
Area: | 695.877 |
Solvation: | -4.66555 |
Coulombic: | -53.4168 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 456.92 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.02 |
LogP (Chemaxon): | 6.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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