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Chemical ID: 6943356

Chemical ID:

6943356

Name [?]:

4-benzyloxy-N-(5-chloro-2-methyl-phenyl)-benzamide

SMILES [?]:

Cc1ccc(cc1NC(=O)c2ccc(cc2)OCc3ccccc3)Cl

InChi [?]:

InChI=1/C21H18ClNO2/c1-15-7-10-18(22)13-20(15)23-21(24)17-8-11-19(12-9-17)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,3,12,16,4,13,15,6,18,2,19,11,5,14,7,9,25,8,10,17/E:(3,4)(5,6)(8,9)(11,12)/rA:25nCCCCCCCNCOCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈ClNO₂
All Atoms:	43
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2046
Area:	581.117
Solvation:	-3.32327
Coulombic:	-32.1423

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	351.826
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.47
LogP (Chemaxon):	4.96

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