Chemical ID: 6420638

CC(c1ccc(cc1)c2ccccc2)NC(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
6420638
Name [?]:
3,4-dichloro-N-[1-(4-phenylphenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1)c2ccccc2)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO/c1-14(24-21(25)18-11-12-19(22)20(23)13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,14,4,8,5,7,19,20,23,2,3,9,6,18,21,22,16,25,24,15,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCCCCCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s2;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17Cl2NO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.5605
Area:592.515
Solvation:-2.25239
Coulombic:-26.5138
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.271
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.85
LogP (Chemaxon):5.85

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Descriptor Annotations

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