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Chemical ID: 6437097

COc1c2ccccc2ccc1C(=O)Nc3ccc(c(c3)NC(=O)c4ccccc4)Cl

Chemical ID:

6437097

Name [?]:

N-(3-benzamido-4-chloro-phenyl)-1-methoxy-naphthalene-2-carboxamide

SMILES [?]:

COc1c2ccccc2ccc1C(=O)Nc3ccc(c(c3)NC(=O)c4ccccc4)Cl

InChi [?]:

InChI=1/C25H19ClN2O3/c1-31-23-19-10-6-5-7-16(19)11-13-20(23)25(30)27-18-12-14-21(26)22(15-18)28-24(29)17-8-3-2-4-9-17/h2-15H,1H3,(H,27,30)(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,7,6,8,26,30,5,10,17,11,18,21,9,25,16,4,12,19,20,3,23,13,31,15,22,24,14,2/E:(3,4)(8,9)/rA:31nCOCCCCCCCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉ClN₂O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1991
Area:	647.275
Solvation:	-3.98278
Coulombic:	-53.3785

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.883
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.77
LogP (Chemaxon):	4.78

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