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Chemical ID: 4441488

COc1ccc(cc1Cl)NC(=O)CC(c2ccccc2)c3ccccc3

Chemical ID:

4441488

Name [?]:

N-(3-chloro-4-methoxy-phenyl)-3,3-diphenyl-propanamide

SMILES [?]:

COc1ccc(cc1Cl)NC(=O)CC(c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C22H20ClNO2/c1-26-21-13-12-18(14-20(21)23)24-22(25)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,18,24,17,19,23,25,16,20,22,26,5,4,7,13,15,21,6,14,8,3,11,9,10,12,2/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)/rA:26nCOCCCCCCClNCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀ClNO₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6747
Area:	585.173
Solvation:	-3.95465
Coulombic:	-30.4078

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	365.852
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.0
LogP (Chemaxon):	5.43

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