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Chemical ID: 5934554

Chemical ID:

5934554

Name [?]:

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-acetamide

SMILES [?]:

CCCCCN(Cc1cccn1Cc2ccc(cc2)F)C(=O)C

InChi [?]:

InChI=1/C19H25FN2O/c1-3-4-5-12-21(16(2)23)15-19-7-6-13-22(19)14-17-8-10-18(20)11-9-17/h6-11,13H,3-5,12,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,3,4,10,9,15,19,16,18,5,11,13,7,21,14,17,8,20,6,12,22/E:(8,9)(10,11)/rA:23nCCCCCNCCCCCNCCCCCCCFCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅FN₂O
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.001
Area:	545.45
Solvation:	-3.63525
Coulombic:	-26.3099

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	316.413
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.46
LogP (Chemaxon):	3.77

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