Chemical ID: 7038284

CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
Chemical ID:
7038284
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C27H28F2N2O4/c1-3-4-9-16-35-23-15-14-18(17-24(23)34-2)25(30-26(32)19-10-5-7-12-21(19)28)31-27(33)20-11-6-8-13-22(20)29/h5-8,10-15,17,25H,3-4,9,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,21,31,22,32,4,20,30,23,33,9,8,5,11,10,19,29,24,34,7,12,15,17,27,25,35,16,26,18,28,13,6/E:(5,6)(7,8)(10,11)(12,13)(19,20)(21,22)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28F2N2O4
All Atoms:63
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:8.52171
Area:737.529
Solvation:-9.91651
Coulombic:-64.8474
Bond Count [?]
All:37
Single:26
Double:11
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:482.519
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.4
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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