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Chemical ID: 4158887

Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)F

Chemical ID:

4158887

Name [?]:

4-[(3-chloro-2-methyl-phenyl)carbamoylmethoxy]-N-(4-fluorophenyl)-benzamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C22H18ClFN2O3/c1-14-19(23)3-2-4-20(14)26-21(27)13-29-18-11-5-15(6-12-18)22(28)25-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,5,6,4,16,18,25,27,24,28,15,19,12,2,17,26,23,14,7,3,10,20,8,29,22,9,11,21,13/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCClNCOCOCCCCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈ClFN₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0239
Area:	634.644
Solvation:	-5.84217
Coulombic:	-53.8295

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	412.841
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.65
LogP (Chemaxon):	4.41

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