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Chemical ID: 4286863

Chemical ID:

4286863

Name [?]:

N'-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C(=O)NCc2ccc(cc2)Cl

InChi [?]:

InChI=1/C17H17ClN2O3/c1-2-23-15-9-7-14(8-10-15)20-17(22)16(21)19-11-12-3-5-13(18)6-4-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,18,22,19,21,6,8,5,9,16,17,20,7,4,13,11,23,15,10,14,12,3/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCOCCCCCCNCOCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇ClN₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9368
Area:	565.31
Solvation:	-3.19593
Coulombic:	-55.4579

Bond Count [?]

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

Chemical Properties

Molecular Weight:	332.781
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.13
LogP (Chemaxon):	3.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value