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Chemical ID: 7475885

c1ccc(cc1)CCNC(=O)c2ccccc2NC(=O)COc3ccc(cc3Br)Cl

Chemical ID:

7475885

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCNC(=O)c2ccccc2NC(=O)COc3ccc(cc3Br)Cl

InChi [?]:

InChI=1/C23H20BrClN2O3/c24-19-14-17(25)10-11-21(19)30-15-22(28)27-20-9-5-4-8-18(20)23(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,25,24,7,8,27,21,4,26,12,28,17,23,19,10,29,30,9,18,20,11,22/E:(2,3)(6,7)/rA:30nCCCCCCCCNCOCCCCCCNCOCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀BrClN₂O₃
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3731
Area:	692.149
Solvation:	-4.93064
Coulombic:	-52.5234

Bond Count [?]

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

Chemical Properties

Molecular Weight:	487.773
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.8
LogP (Chemaxon):	5.76

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