Chemical ID: 6392421

c1cc(ccc1CNC(=O)c2ccc(cc2)[N+](=O)[O-])F
Chemical ID:
6392421
Name [?]:
N-[(4-fluorophenyl)methyl]-4-nitro-benzamide
SMILES [?]:
c1cc(ccc1CNC(=O)c2ccc(cc2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C14H11FN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,12,16,2,4,13,15,7,6,11,3,14,9,20,8,17,10,18,19/E:(1,2)(3,4)(5,6)(7,8)(19,20)/CRV:17.5/rA:20nCCCCCCCNCOCCCCCCN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11FN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.20358
Area:467.74
Solvation:-8.48993
Coulombic:-37.8607
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.247
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.07
LogP (Chemaxon):2.81

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Descriptor Annotations

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