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Chemical ID: 7475975

c1ccc(cc1)CCNC(=O)c2ccccc2NC(=O)COc3ccc(cc3)Br

Chemical ID:

7475975

Name [?]:

2-[2-(4-bromophenoxy)acetyl]amino-N-phenethyl-benzamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)c2ccccc2NC(=O)COc3ccc(cc3)Br

InChi [?]:

InChI=1/C23H21BrN2O3/c24-18-10-12-19(13-11-18)29-16-22(27)26-21-9-5-4-8-20(21)23(28)25-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,25,27,24,28,7,8,21,4,26,23,12,17,19,10,29,9,18,20,11,22/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCCNCOCCCCCCNCOCOCCCCCCBr/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁BrN₂O₃
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.837
Area:	661.653
Solvation:	-4.70435
Coulombic:	-52.6217

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	453.329
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.18
LogP (Chemaxon):	5.24

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

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Chemical Mix	Source	External ID	Descriptor	Value