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Chemical ID: 7348251

CCN(CC(=O)NCc1ccc(cc1)Cl)CC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]

Chemical ID:

7348251

Name [?]:

2-[(2-chloro-5-nitro-phenyl)carbamoylmethyl-ethyl-amino]-N-[(4-chlorophenyl)methyl]acetamide

SMILES [?]:

CCN(CC(=O)NCc1ccc(cc1)Cl)CC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H20Cl2N4O4/c1-2-24(11-18(26)22-10-13-3-5-14(20)6-4-13)12-19(27)23-17-9-15(25(28)29)7-8-16(17)21/h3-9H,2,10-12H2,1H3,(H,22,26)(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,2,10,14,11,13,23,24,21,8,4,16,9,12,22,25,20,5,17,15,26,7,19,3,27,6,18,28,29/E:(3,4)(5,6)(28,29)/CRV:25.5/rA:29cCCNCCONCCCCCCCClCCONCCCCCCClN+OO-/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s3;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀Cl₂N₄O₄
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	7.51846
Area:	686.827
Solvation:	-9.65223
Coulombic:	-58.1241

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	439.292
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.12
LogP (Chemaxon):	2.62

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