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Chemical ID: 4402362
Chemical ID:
4402362
Name [?]:
propyl 4-(3-chloro-4-methyl-benzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C18H18ClNO3/c1-3-10-23-18(22)13-6-8-15(9-7-13)20-17(21)14-5-4-12(2)16(19)11-14/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,18,17,8,12,9,11,3,21,19,7,16,10,20,14,5,22,13,15,6,4/E:(6,7)(8,9)/rA:23nCCCOCOCCCCCCNCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5253 |
Area: | 562.015 |
Solvation: | -2.52509 |
Coulombic: | -43.3617 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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