Chemical ID: 6029405

CCCCNC(=O)CC(c1cccc(c1)Cl)c2c[nH]c3c2cccc3
Chemical ID:
6029405
Name [?]:
N-butyl-3-(3-chlorophenyl)-3-(1H-indol-3-yl)propanamide
SMILES [?]:
CCCCNC(=O)CC(c1cccc(c1)Cl)c2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C21H23ClN2O/c1-2-3-11-23-21(25)13-18(15-7-6-8-16(22)12-15)19-14-24-20-10-5-4-9-17(19)20/h4-10,12,14,18,24H,2-3,11,13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,24,12,11,13,22,25,4,15,8,18,10,14,21,9,17,20,6,16,5,19,7/rA:25cCCCCNCOCCCCCCCCClCCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s9;d17;s18;s19;s17s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23ClN2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.1806
Area:593.225
Solvation:-2.64999
Coulombic:-34.2103
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.873
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.94
LogP (Chemaxon):5.13

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Descriptor Annotations

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