Chemical ID: 5791813

CCCCCCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5791813
Name [?]:
heptyl 4-(4-chlorobenzoyl)aminobenzoate
SMILES [?]:
CCCCCCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C21H24ClNO3/c1-2-3-4-5-6-15-26-21(25)17-9-13-19(14-10-17)23-20(24)16-7-11-18(22)12-8-16/h7-14H,2-6,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,21,25,12,16,22,24,13,15,7,20,11,23,14,18,9,26,17,19,10,8/E:(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.7696
Area:654.374
Solvation:-2.58974
Coulombic:-44.7334
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:373.873
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.61
LogP (Chemaxon):5.56

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Descriptor Annotations

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