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Chemical ID: 4407406

Chemical ID:

4407406

Name [?]:

N-(4-bromo-2,6-dimethyl-phenyl)-3-chloro-4-ethoxy-benzamide

SMILES [?]:

CCOc1ccc(cc1Cl)C(=O)Nc2c(cc(cc2C)Br)C

InChi [?]:

InChI=1/C17H17BrClNO2/c1-4-22-15-6-5-12(9-14(15)19)17(21)20-16-10(2)7-13(18)8-11(16)3/h5-9H,4H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,20,22,2,6,5,18,16,8,19,15,7,17,9,4,14,11,21,10,13,12,3/E:(2,3)(7,8)(10,11)/rA:22nCCOCCCCCCClCONCCCCCCCBrC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇BrClNO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3425
Area:	536.062
Solvation:	-3.0591
Coulombic:	-29.6769

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	382.679
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.2
LogP (Chemaxon):	4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value