Chemical ID: 5911007

c1ccc(cc1)CCN(Cc2ccco2)C(=O)C(c3ccccc3)Cl
Chemical ID:
5911007
Name [?]:
2-chloro-N-(2-furylmethyl)-N-phenethyl-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)C(c3ccccc3)Cl
InChi [?]:
InChI=1/C21H20ClNO2/c22-20(18-10-5-2-6-11-18)21(24)23(16-19-12-7-15-25-19)14-13-17-8-3-1-4-9-17/h1-12,15,20H,13-14,16H2
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,13,3,5,20,24,12,7,8,14,10,4,19,11,18,16,25,9,17,15/E:(3,4)(5,6)(8,9)(10,11)/rA:25cCCCCCCCCNCCCCCOCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;s19;d20;s21;d22;d19s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClNO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1019
Area:571.93
Solvation:-3.19635
Coulombic:-27.8527
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.842
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.85
LogP (Chemaxon):4.78

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Descriptor Annotations

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