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Chemical ID: 5892508

CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl

Chemical ID:

5892508

Name [?]:

5-(4-chloro-3-nitro-benzoyl)amino-2-dimethylamino-N-propyl-benzamide

SMILES [?]:

CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C19H21ClN4O4/c1-4-9-21-19(26)14-11-13(6-8-16(14)23(2)3)22-18(25)12-5-7-15(20)17(10-12)24(27)28/h5-8,10-11H,4,9H2,1-3H3,(H,21,26)(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,14,15,2,20,10,21,11,3,24,8,19,9,7,22,12,23,17,5,28,4,16,13,25,18,6,26,27/E:(2,3)(27,28)/CRV:24.5/rA:28nCCCNCOCCCCCCNCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;d25;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁ClN₄O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	5.64383
Area:	633.759
Solvation:	-10.2001
Coulombic:	-57.6624

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.847
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.78
LogP (Chemaxon):	3.55

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