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Chemical ID: 4490797
Chemical ID:
4490797
Name [?]:
2,4-dichloro-N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-benzamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O3/c1-28-17-4-2-3-16(12-17)25-20(26)13-5-8-15(9-6-13)24-21(27)18-10-7-14(22)11-19(18)23/h2-12H,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,13,17,23,14,16,22,25,8,12,24,15,7,3,21,26,10,19,28,27,18,9,11,20,2/E:(5,6)(8,9)/rA:28nCOCCCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0519 |
Area: | 632.7 |
Solvation: | -4.76565 |
Coulombic: | -50.6624 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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