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Chemical ID: 7475889

Cc1cc(ccc1Cl)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

Chemical ID:

7475889

Name [?]:

2-[2-(4-chloro-3-methyl-phenoxy)acetyl]amino-N-phenethyl-benzamide

SMILES [?]:

Cc1cc(ccc1Cl)OCC(=O)Nc2ccccc2C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C24H23ClN2O3/c1-17-15-19(11-12-21(17)25)30-16-23(28)27-22-10-6-5-9-20(22)24(29)26-14-13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,17,16,26,30,18,15,5,6,24,23,3,10,2,25,4,19,7,14,11,20,8,22,13,12,21,9/E:(3,4)(7,8)/rA:30nCCCCCCCClOCCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3883
Area:	680.883
Solvation:	-4.63377
Coulombic:	-52.8973

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	422.904
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.22
LogP (Chemaxon):	5.44

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