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Chemical ID: 4082096

Chemical ID:

4082096

Name [?]:

4-bromo-N-(2-furylmethyl)benzamide

SMILES [?]:

c1cc(oc1)CNC(=O)c2ccc(cc2)Br

InChi [?]:

InChI=1/C12H10BrNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,11,15,12,14,5,6,10,13,3,8,16,7,9,4/E:(3,4)(5,6)/rA:16nCCCOCCNCOCCCCCCBr/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀BrNO₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.85578
Area:	420.955
Solvation:	-2.66808
Coulombic:	-29.6147

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.117
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.63
LogP (Chemaxon):	2.46

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