Chemical ID: 7490435

CC(C(=O)Nc1ccccc1C(=O)OC)Oc2ccc(cc2)Cl
Chemical ID:
7490435
Name [?]:
methyl 2-[2-(4-chlorophenoxy)propanoylamino]benzoate
SMILES [?]:
CC(C(=O)Nc1ccccc1C(=O)OC)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO4/c1-11(23-13-9-7-12(18)8-10-13)16(20)19-15-6-4-3-5-14(15)17(21)22-2/h3-11H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,9,8,10,7,19,21,18,22,2,20,17,11,6,3,12,23,5,4,13,14,16/E:(7,8)(9,10)/rA:23cCCCONCCCCCCCOOCOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s2;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO4
All Atoms:39
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.46669
Area:536.461
Solvation:-3.94485
Coulombic:-50.156
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.766
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.13

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Descriptor Annotations

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