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Chemical ID: 6018504

Cn1cc(c2c1cccc2)C(CC(=O)NCCc3ccccc3)c4cccc(c4)Cl

Chemical ID:

6018504

Name [?]:

3-(3-chlorophenyl)-3-(1-methylindol-3-yl)-N-phenethyl-propanamide

SMILES [?]:

Cn1cc(c2c1cccc2)C(CC(=O)NCCc3ccccc3)c4cccc(c4)Cl

InChi [?]:

InChI=1/C26H25ClN2O/c1-29-18-24(22-12-5-6-13-25(22)29)23(20-10-7-11-21(27)16-20)17-26(30)28-15-14-19-8-3-2-4-9-19/h2-13,16,18,23H,14-15,17H2,1H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,9,8,26,19,23,25,27,10,7,17,16,29,12,3,18,24,28,5,11,4,6,13,30,15,2,14/E:(3,4)(8,9)/rA:30cCNCCCCCCCCCCCONCCCCCCCCCCCCCCCl/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5901
Area:	672.804
Solvation:	-3.22999
Coulombic:	-30.0633

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	416.942
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.76
LogP (Chemaxon):	6.2

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