Chemical ID: 5873260

Cc1ccccc1C(=O)N(CCCN)c2cccc(c2)C(F)(F)F
Chemical ID:
5873260
Name [?]:
N-(3-aminopropyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCCN)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H19F3N2O/c1-13-6-2-3-9-16(13)17(24)23(11-5-10-22)15-8-4-7-14(12-15)18(19,20)21/h2-4,6-9,12H,5,10-11,22H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,17,12,3,18,16,6,13,11,20,2,19,15,7,8,21,22,23,24,14,10,9/E:(19,20,21)/rA:24nCCCCCCCCONCCCNCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19F3N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0145
Area:511.305
Solvation:-2.76807
Coulombic:-50.0801
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.352
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):3.48

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Descriptor Annotations

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