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Chemical ID: 7292950

Chemical ID:

7292950

Name [?]:

N-[(3-fluorophenyl)carbamoylmethyl]-N-methyl-cyclohexanecarboxamide

SMILES [?]:

CN(CC(=O)Nc1cccc(c1)F)C(=O)C2CCCCC2

InChi [?]:

InChI=1/C16H21FN2O2/c1-19(16(21)12-6-3-2-4-7-12)11-15(20)18-14-9-5-8-13(17)10-14/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,9,17,21,10,8,12,3,16,11,7,4,14,13,6,2,5,15/E:(3,4)(6,7)/rA:21nCNCCONCCCCCCFCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s2;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁FN₂O₂
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.1314
Area:	485.722
Solvation:	-4.01165
Coulombic:	-40.4296

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	292.349
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.66
LogP (Chemaxon):	2.56

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