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Chemical ID: 6767610

c1ccc(cc1)Cn2cc(c3c2cccc3)CCC(=O)NCCc4ccc(cc4)Cl

Chemical ID:

6767610

Name [?]:

3-(1-benzylindol-3-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide

SMILES [?]:

c1ccc(cc1)Cn2cc(c3c2cccc3)CCC(=O)NCCc4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H25ClN2O/c27-23-13-10-20(11-14-23)16-17-28-26(30)15-12-22-19-29(18-21-6-2-1-3-7-21)25-9-5-4-8-24(22)25/h1-11,13-14,19H,12,15-18H2,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,15,14,3,5,16,13,25,29,17,26,28,18,23,22,7,9,24,4,10,27,11,12,19,30,21,8,20/E:(2,3)(6,7)(10,11)(13,14)/rA:30nCCCCCCCNCCCCCCCCCCCONCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;s10;s17;s18;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	14.1089
Area:	689.588
Solvation:	-3.13076
Coulombic:	-30.3456

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	416.942
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.98
LogP (Chemaxon):	6.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value