Chemical ID: 4782811

Cc1c(cc(n1c2ccccc2)c3ccc(cc3)Cl)C(=O)Nc4cccc(c4)OC
Chemical ID:
4782811
Name [?]:
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1c2ccccc2)c3ccc(cc3)Cl)C(=O)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C25H21ClN2O2/c1-17-23(25(29)27-20-7-6-10-22(15-20)30-2)16-24(18-11-13-19(26)14-12-18)28(17)21-8-4-3-5-9-21/h3-16H,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,10,9,11,25,24,8,12,26,14,18,15,17,28,4,2,13,16,23,7,27,3,5,20,19,22,6,21,29/E:(4,5)(8,9)(11,12)(13,14)/rA:30nCCCCCNCCCCCCCCCCCCClCONCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21ClN2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1124
Area:637.276
Solvation:-3.81951
Coulombic:-36.8894
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.899
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.3
LogP (Chemaxon):5.49

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Descriptor Annotations

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