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Chemical ID: 5096433

c1cc(cc(c1)Cl)C(=O)Nc2cccc(c2)NC(=O)c3ccc(o3)c4ccc(cc4)[N+](=O)[O-]

Chemical ID:

5096433

Name [?]:

N-[3-(3-chlorobenzoyl)aminophenyl]-5-(4-nitrophenyl)-furan-2-carboxamide

SMILES [?]:

c1cc(cc(c1)Cl)C(=O)Nc2cccc(c2)NC(=O)c3ccc(o3)c4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H16ClN3O5/c25-17-4-1-3-16(13-17)23(29)26-18-5-2-6-19(14-18)27-24(30)22-12-11-21(33-22)15-7-9-20(10-8-15)28(31)32/h1-14H,(H,26,29)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,13,2,6,12,14,26,30,27,29,22,21,4,16,25,3,5,11,15,28,23,20,8,18,7,10,17,31,9,19,32,33,24/E:(7,8)(9,10)(31,32)/CRV:28.5/rA:33nCCCCCCClCONCCCCCCNCOCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;d20;s21;d22;s20s23;s23;s25;d26;s27;d28;d25s29;s28;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆ClN₃O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.8451
Area:	710.91
Solvation:	-8.92766
Coulombic:	-65.062

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	461.854
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.01
LogP (Chemaxon):	5.03

Name Annotations

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

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