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Chemical ID: 7305458

Chemical ID:

7305458

Name [?]:

2-(4-bromophenyl)amino-N-(2-fluorophenyl)-acetamide

SMILES [?]:

c1ccc(c(c1)NC(=O)CNc2ccc(cc2)Br)F

InChi [?]:

InChI=1/C14H12BrFN2O/c15-10-5-7-11(8-6-10)17-9-14(19)18-13-4-2-1-3-12(13)16/h1-8,17H,9H2,(H,18,19)

InChi Info:

AuxInfo=1/1/N:2,1,3,6,14,16,13,17,10,15,12,4,5,8,18,19,11,7,9/E:(5,6)(7,8)/rA:19nCCCCCCNCOCNCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂BrFN₂O
All Atoms:	31
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7668
Area:	463.982
Solvation:	-2.83274
Coulombic:	-38.0977

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	323.16
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.37
LogP (Chemaxon):	2.98

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