Chemical ID: 4279681

c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3ccccc3C(=O)O
Chemical ID:
4279681
Name [?]:
2-(dibenzylcarbamoyl)benzoic acid
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C22H19NO3/c24-21(19-13-7-8-14-20(19)22(25)26)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,20,21,3,5,11,15,19,22,7,9,4,10,18,23,16,24,8,17,25,26/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(17,18)(25,26)/rA:26nCCCCCCCNCCCCCCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.6454
Area:529.974
Solvation:-3.60395
Coulombic:-47.7554
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.391
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):4.26

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