Chemical ID: 6561281

c1ccc(cc1)Nc2ccccc2C(=O)OCC(=O)Nc3ccccc3
Chemical ID:
6561281
Name [?]:
phenylcarbamoylmethyl 2-anilinobenzoate
SMILES [?]:
c1ccc(cc1)Nc2ccccc2C(=O)OCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H18N2O3/c24-20(23-17-11-5-2-6-12-17)15-26-21(25)18-13-7-8-14-19(18)22-16-9-3-1-4-10-16/h1-14,22H,15H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,11,10,3,5,22,26,12,9,17,4,21,13,8,18,14,7,20,19,15,16/E:(3,4)(5,6)(9,10)(11,12)/rA:26nCCCCCCNCCCCCCCOOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.507
Area:568.577
Solvation:-3.70745
Coulombic:-53.8587
Bond Count [?]
All:28
Single:17
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.379
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.34
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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