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Chemical ID: 5159589

Chemical ID:

5159589

Name [?]:

4-amino-N-benzyl-N-phenyl-benzamide

SMILES [?]:

c1ccc(cc1)CN(c2ccccc2)C(=O)c3ccc(cc3)N

InChi [?]:

InChI=1/C20H18N2O/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1-14H,15,21H2

InChi Info:

AuxInfo=1/0/N:1,12,2,6,11,13,3,5,10,14,18,22,19,21,7,4,17,20,9,15,23,8,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCCNCCCCCCCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₂O
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.195
Area:	504.963
Solvation:	-2.42907
Coulombic:	-36.806

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	302.37
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.03
LogP (Chemaxon):	3.87

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value