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Chemical ID: 6481401

Chemical ID:

6481401

Name [?]:

N-cyclopropyl-2,6-difluoro-N-(1-propyl-4-piperidyl)-benzamide

SMILES [?]:

CCCN1CCC(CC1)N(C2CC2)C(=O)c3c(cccc3F)F

InChi [?]:

InChI=1/C18H24F2N2O/c1-2-10-21-11-8-14(9-12-21)22(13-6-7-13)18(23)17-15(19)4-3-5-16(17)20/h3-5,13-14H,2,6-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,19,18,20,12,13,6,8,3,5,9,11,7,17,21,16,14,23,22,4,10,15/E:(4,5)(6,7)(8,9)(11,12)(15,16)(19,20)/rA:23nCCCNCCCCCNCCCCOCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;s14;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄F₂N₂O
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.66761
Area:	507.988
Solvation:	-4.03209
Coulombic:	-28.6334

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	322.393
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.61
LogP (Chemaxon):	2.65

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