Chemical ID: 5541084

CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccccc3Cl
Chemical ID:
5541084
Name [?]:
N-benzhydryl-2-chloro-N-methyl-benzamide
SMILES [?]:
CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C21H18ClNO/c1-23(21(24)18-14-8-9-15-19(18)22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,6,8,12,14,20,21,5,9,11,15,19,22,4,10,18,23,3,16,24,2,17/E:(2,3)(4,5,6,7)(10,11,12,13)(16,17)/rA:24nCNCCCCCCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.641
Area:519.781
Solvation:-2.3535
Coulombic:-22.6703
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.826
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.48
LogP (Chemaxon):5.33

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Descriptor Annotations

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