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Chemical ID: 7486676
Chemical ID:
7486676
Name [?]:
2-(3-chlorobenzoyl)amino-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC2CCCO2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C19H19ClN2O3/c20-14-6-3-5-13(11-14)18(23)22-17-9-2-1-8-16(17)19(24)21-12-15-7-4-10-25-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,13,20,22,12,6,3,14,24,10,19,23,11,5,4,17,7,25,9,16,18,8,15/rA:25cCCCCCCCONCCCCCONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s11s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2O3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9024 |
Area: | 576.108 |
Solvation: | -3.50035 |
Coulombic: | -53.4021 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.819 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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