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Chemical ID: 6840101

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccc(cc3)F

Chemical ID:

6840101

Name [?]:

N-(2,3-dimethylphenyl)-4-[1-[(4-fluorophenyl)carbamoyl]ethoxy]benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C24H23FN2O3/c1-15-5-4-6-22(16(15)2)27-24(29)18-7-13-21(14-8-18)30-17(3)23(28)26-20-11-9-19(25)10-12-20/h4-14,17H,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,8,20,4,3,5,13,17,26,28,25,29,14,16,2,7,19,12,27,24,15,6,21,10,30,23,9,22,11,18/E:(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCCCCCNCOCCCCCCOCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃FN₂O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3906
Area:	640.003
Solvation:	-5.60946
Coulombic:	-54.3741

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	406.449
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.0
LogP (Chemaxon):	4.89

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