Chemical ID: 4200898

c1cc(ccc1CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)F
Chemical ID:
4200898
Name [?]:
4-chloro-N-[(4-fluorophenyl)methyl]-3-nitro-benzamide
SMILES [?]:
c1cc(ccc1CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)F
InChi [?]:
InChI=1/C14H10ClFN2O3/c15-12-6-3-10(7-13(12)18(20)21)14(19)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,13,16,7,6,11,3,14,15,9,20,21,8,17,10,18,19/E:(1,2)(4,5)(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-ClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClFN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.38419
Area:489.873
Solvation:-8.86263
Coulombic:-36.4201
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:308.692
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.69
LogP (Chemaxon):3.33

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Descriptor Annotations

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