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Chemical ID: 5911139
Chemical ID:
5911139
Name [?]:
N-benzyl-4-chloro-N-(2-furylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO2/c20-17-10-8-16(9-11-17)19(22)21(14-18-7-4-12-23-18)13-15-5-2-1-3-6-15/h1-12H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,18,22,19,21,13,7,9,4,17,20,10,15,23,8,16,14/E:(2,3)(5,6)(8,9)(10,11)/rA:23nCCCCCCCNCCCCCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0194 |
Area: | 522.004 |
Solvation: | -3.03074 |
Coulombic: | -27.2703 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.789 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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