Chemical ID: 5895601

CC1CCN(CC1)c2ccc(cc2C(=O)NCCc3ccccc3)NC(=O)c4ccc(cc4)Cl
Chemical ID:
5895601
Name [?]:
5-(4-chlorobenzoyl)amino-2-(4-methyl-1-piperidyl)-N-phenethyl-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NCCc3ccccc3)NC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C28H30ClN3O2/c1-20-14-17-32(18-15-20)26-12-11-24(31-27(33)22-7-9-23(29)10-8-22)19-25(26)28(34)30-16-13-21-5-3-2-4-6-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,29,33,30,32,10,9,18,3,7,17,4,6,12,2,19,28,31,11,13,8,26,14,34,16,25,5,27,15/E:(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)/rA:34nCCCCNCCCCCCCCCONCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s11;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30ClN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.5946
Area:750.394
Solvation:-4.16524
Coulombic:-51.5248
Bond Count [?]
All:37
Single:26
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:476.01
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.47
LogP (Chemaxon):5.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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