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Chemical ID: 7020333
Chemical ID:
7020333
Name [?]:
N-[(3,4-dichlorophenyl)-(2-methoxybenzoyl)amino-methyl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)NC(c2ccc(c(c2)Cl)Cl)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C23H20Cl2N2O4/c1-30-19-9-5-3-7-15(19)22(28)26-21(14-11-12-17(24)18(25)13-14)27-23(29)16-8-4-6-10-20(16)31-2/h3-13,21H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,6,26,5,27,7,25,4,28,14,15,18,13,8,24,16,17,3,29,12,9,22,20,19,11,21,10,23,2,30/E:(1,2)(3,4)(5,6)(7,8)(9,10)(15,16)(19,20)(22,23)(26,27)(28,29)(30,31)/gE:(1,2)/rA:31nCOCCCCCCCONCCCCCCCClClNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s12;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1502 |
Area: | 679.323 |
Solvation: | -7.83287 |
Coulombic: | -57.7264 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 459.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.67 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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