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Chemical ID: 4147164
Chemical ID:
4147164
Name [?]:
propyl 4-(3-chlorobenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClNO3/c1-2-10-22-17(21)12-6-8-15(9-7-12)19-16(20)13-4-3-5-14(18)11-13/h3-9,11H,2,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,8,12,9,11,3,21,7,16,20,10,14,5,22,13,15,6,4/E:(6,7)(8,9)/rA:22nCCCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0544 |
Area: | 544.531 |
Solvation: | -2.55891 |
Coulombic: | -43.4458 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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