Chemical ID: 7288618

CC(c1ccccc1)NC(=O)COc2ccc(cc2)NC(=O)c3ccccc3Cl
Chemical ID:
7288618
Name [?]:
2-chloro-N-[4-(1-phenylethylcarbamoylmethoxy)phenyl]-benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)COc2ccc(cc2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-16(17-7-3-2-4-8-17)25-22(27)15-29-19-13-11-18(12-14-19)26-23(28)20-9-5-6-10-21(20)24/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,25,26,4,8,24,27,16,18,15,19,12,2,3,17,14,23,28,10,21,29,9,20,11,22,13/E:(3,4)(7,8)(11,12)(13,14)/rA:29cCCCCCCCCNCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN2O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.8456
Area:653.612
Solvation:-5.49471
Coulombic:-51.7029
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.877
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.94
LogP (Chemaxon):4.48

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