Chemical ID: 6363840

Cc1cc(ccc1OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])Cl
Chemical ID:
6363840
Name [?]:
4-(4-chloro-2-methyl-phenoxy)-N-(2-methoxy-5-nitro-phenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1OCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C18H19ClN2O5/c1-12-10-13(19)5-7-16(12)26-9-3-4-18(22)20-15-11-14(21(23)24)6-8-17(15)25-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,10,11,5,18,6,19,9,3,16,2,4,17,15,7,20,12,26,14,23,13,24,25,21,8/E:(23,24)/CRV:21.5/rA:26nCCCCCCCOCCCCONCCCCCCOCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;d23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.70479
Area:613.249
Solvation:-9.62643
Coulombic:-45.9828
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:378.807
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.72
LogP (Chemaxon):3.99

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Descriptor Annotations

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