Chemical ID: 6892239

c1cc(cc(c1)Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
Chemical ID:
6892239
Name [?]:
4-[(3-chlorophenyl)carbamoylmethoxy]-N-(2,5-dichlorophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H15Cl3N2O3/c22-14-2-1-3-16(10-14)25-20(27)12-29-17-7-4-13(5-8-17)21(28)26-19-11-15(23)6-9-18(19)24/h1-11H,12H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,25,14,18,26,4,23,11,16,5,24,3,13,27,22,9,19,7,29,28,8,21,10,20,12/E:(4,5)(7,8)/rA:29nCCCCCCClNCOCOCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl3N2O3
All Atoms:44
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0928
Area:678.415
Solvation:-4.86762
Coulombic:-51.4575
Bond Count [?]
All:31
Single:20
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:449.714
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.51
LogP (Chemaxon):4.84

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Descriptor Annotations

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