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Chemical ID: 7258827

CCc1cccc(c1NC(=O)CN(C)CC(=O)Nc2ccc(cc2)Cl)CC

Chemical ID:

7258827

Name [?]:

2-[(4-chlorophenyl)carbamoylmethyl-methyl-amino]-N-(2,6-diethylphenyl)-acetamide

SMILES [?]:

CCc1cccc(c1NC(=O)CN(C)CC(=O)Nc2ccc(cc2)Cl)CC

InChi [?]:

InChI=1/C21H26ClN3O2/c1-4-15-7-6-8-16(5-2)21(15)24-20(27)14-25(3)13-19(26)23-18-11-9-17(22)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,27,14,2,26,5,4,6,21,23,20,24,15,12,3,7,22,19,16,10,8,25,18,9,13,17,11/E:(1,2)(4,5)(7,8)(9,10)(11,12)(15,16)/rA:27cCCCCCCCCNCOCNCCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆ClN₃O₂
All Atoms:	53
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8389
Area:	632.726
Solvation:	-4.97925
Coulombic:	-46.0309

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	387.903
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.54
LogP (Chemaxon):	3.27

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value