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Chemical ID: 7255152

Chemical ID:

7255152

Name [?]:

2-[(4-chlorophenyl)methyl-methyl-amino]-N-(2,3-dimethylphenyl)-acetamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)CN(C)Cc2ccc(cc2)Cl

InChi [?]:

InChI=1/C18H21ClN2O/c1-13-5-4-6-17(14(13)2)20-18(22)12-21(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,8,14,4,3,5,17,21,18,20,15,12,2,7,16,19,6,10,22,9,13,11/E:(7,8)(9,10)/rA:22cCCCCCCCCNCOCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁ClN₂O
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2991
Area:	536.959
Solvation:	-3.12489
Coulombic:	-27.1425

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	316.825
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.8
LogP (Chemaxon):	3.82

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