Chemical ID: 4147164

CCCOC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)Cl
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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Descriptor Annotations

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