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Chemical ID: 7276717

Chemical ID:

7276717

Name [?]:

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

SMILES [?]:

CN(Cc1cccc(c1)Cl)CC(=O)NCc2ccc(cc2)F

InChi [?]:

InChI=1/C17H18ClFN2O/c1-21(11-14-3-2-4-15(18)9-14)12-17(22)20-10-13-5-7-16(19)8-6-13/h2-9H,10-12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,17,21,18,20,9,15,3,11,16,4,8,19,12,10,22,14,2,13/E:(5,6)(7,8)/rA:22cCNCCCCCCCClCCONCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s2;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈ClFN₂O
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.57734
Area:	540.36
Solvation:	-3.93165
Coulombic:	-31.7235

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	320.789
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.44
LogP (Chemaxon):	3.29

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