Chemical ID: 3946990

c1cc(cc(c1)Cl)NC(=O)NC2(CCCCC2)C(=O)NCC3CCCCC3
Chemical ID:
3946990
Name [?]:
1-[(3-chlorophenyl)carbamoylamino]-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)NC2(CCCCC2)C(=O)NCC3CCCCC3
InChi [?]:
InChI=1/C21H30ClN3O2/c22-17-10-7-11-18(14-17)24-20(27)25-21(12-5-2-6-13-21)19(26)23-15-16-8-3-1-4-9-16/h7,10-11,14,16H,1-6,8-9,12-13,15H2,(H,23,26)(H2,24,25,27)
InChi Info:
AuxInfo=1/1/N:25,15,24,26,14,16,1,23,27,6,2,13,17,4,21,22,5,3,18,9,12,7,20,8,11,19,10/E:(3,4)(5,6)(8,9)(12,13)/rA:27nCCCCCCClNCONCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.2143
Area:602.836
Solvation:-2.85663
Coulombic:-58.5658
Bond Count [?]
All:29
Single:24
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.935
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.74
LogP (Chemaxon):4.26

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