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Chemical ID: 7267382

CCNc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(c(c2)Cl)C

Chemical ID:

7267382

Name [?]:

N-(3-chloro-4-methyl-phenyl)-4-ethylamino-3-nitro-benzamide

SMILES [?]:

CCNc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(c(c2)Cl)C

InChi [?]:

InChI=1/C16H16ClN3O3/c1-3-18-14-7-5-11(8-15(14)20(22)23)16(21)19-12-6-4-10(2)13(17)9-12/h4-9,18H,3H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,23,2,18,6,17,5,8,21,19,7,16,20,4,9,13,22,3,15,10,14,11,12/E:(22,23)/CRV:20.5/rA:23nCCNCCCCCCN+OO-CONCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆ClN₃O₃
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	6.02277
Area:	543.194
Solvation:	-7.55709
Coulombic:	-45.8818

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	333.769
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.32
LogP (Chemaxon):	4.61

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

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Chemical Mix	Source	External ID	Descriptor	Value