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Chemical ID: 7475887

Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

Chemical ID:

7475887

Name [?]:

2-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino-N-phenethyl-benzamide

SMILES [?]:

Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C25H25ClN2O3/c1-17-14-20(15-18(2)24(17)26)31-16-23(29)28-22-11-7-6-10-21(22)25(30)27-13-12-19-8-4-3-5-9-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,30)(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,9,29,28,30,18,17,27,31,19,16,25,24,3,5,11,2,6,26,4,20,15,12,7,21,8,23,14,13,22,10/E:(1,2)(4,5)(8,9)(14,15)(17,18)/rA:31nCCCCCCCClCOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₃
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8804
Area:	698.275
Solvation:	-4.5765
Coulombic:	-52.8729

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	436.93
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.45
LogP (Chemaxon):	5.9

Name Annotations

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

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