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Chemical ID: 5976282
Chemical ID:
5976282
Name [?]:
5-(3-chlorobenzoyl)amino-2-dimethylamino-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H22ClN3O2/c1-4-10-21-19(25)16-12-15(8-9-17(16)23(2)3)22-18(24)13-6-5-7-14(20)11-13/h5-9,11-12H,4,10H2,1-3H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,21,20,22,10,11,3,24,8,19,23,9,7,12,17,5,25,4,16,13,18,6/E:(2,3)/rA:25nCCCNCOCCCCCCNCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0368 |
Area: | 595.979 |
Solvation: | -3.86271 |
Coulombic: | -49.4585 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.85 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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