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Chemical ID: 7484874

c1ccc(c(c1)C(=O)NCc2ccco2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

Chemical ID:

7484874

Name [?]:

4-chloro-N-[2-(2-furylmethylcarbamoyl)phenyl]-3-nitro-benzamide

SMILES [?]:

c1ccc(c(c1)C(=O)NCc2ccco2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C19H14ClN3O5/c20-15-8-7-12(10-17(15)23(26)27)18(24)22-16-6-2-1-5-14(16)19(25)21-11-13-4-3-9-28-13/h1-10H,11H2,(H,21,25)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,13,12,6,3,20,21,14,24,10,19,11,5,22,4,23,17,7,28,9,16,25,18,8,26,27,15/E:(26,27)/CRV:23.5/rA:28nCCCCCCCONCCCCCONCOCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;d25;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄ClN₃O₅
All Atoms:	42
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	5.8442
Area:	608.906
Solvation:	-9.37844
Coulombic:	-60.7332

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	399.784
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.63
LogP (Chemaxon):	3.85

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value