Chemical ID: 6344916

Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCCc2ccccc2
Chemical ID:
6344916
Name [?]:
4-methyl-3-nitro-N-(3-phenylpropyl)benzamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCCc2ccccc2
InChi [?]:
InChI=1/C17H18N2O3/c1-13-9-10-15(12-16(13)19(21)22)17(20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,15,18,22,16,3,4,14,6,2,17,5,7,11,13,8,12,9,10/E:(3,4)(6,7)(21,22)/CRV:19.5/rA:22nCCCCCCCN+OO-CONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.74536
Area:531.318
Solvation:-7.5376
Coulombic:-35.2754
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:298.336
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.65
LogP (Chemaxon):3.79

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Descriptor Annotations

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