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Chemical ID: 4245068

Chemical ID:

4245068

Name [?]:

2-methoxy-N-(2-pyrrolidin-1-ylcarbonylphenyl)-benzamide

SMILES [?]:

COc1ccccc1C(=O)Nc2ccccc2C(=O)N3CCCC3

InChi [?]:

InChI=1/C19H20N2O3/c1-24-17-11-5-3-9-15(17)18(22)20-16-10-4-2-8-14(16)19(23)21-12-6-7-13-21/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,15,6,14,5,22,23,16,7,13,4,21,24,17,8,12,3,9,18,11,20,10,19,2/E:(6,7)(12,13)/rA:24nCOCCCCCCCONCCCCCCCONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.39377
Area:	519.119
Solvation:	-4.58421
Coulombic:	-45.9913

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	324.374
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.39
LogP (Chemaxon):	2.97

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