Chemical ID: 6036849

CCC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2cc(oc2C)C
Chemical ID:
6036849
Name [?]:
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C21H27FN2O3/c1-5-14(2)23-20(25)10-11-24(13-17-6-8-18(22)9-7-17)21(26)19-12-15(3)27-16(19)4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,27,26,2,13,17,14,16,8,9,22,11,3,23,25,12,15,21,6,19,18,5,10,7,20,24/E:(6,7)(8,9)/rA:27cCCCCNCOCCNCCCCCCCFCOCCCOCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;d22;s23;d21s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27FN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9131
Area:612.727
Solvation:-4.40509
Coulombic:-48.1719
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.449
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.09
LogP (Chemaxon):2.65

Name Annotations

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Descriptor Annotations

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