Chemical ID: 4402362

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)Cl)C
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

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Descriptor Annotations

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