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Chemical ID: 4783267
Chemical ID:
4783267
Name [?]:
5-(4-chlorophenyl)-2-methyl-N-phenyl-furan-3-carboxamide
SMILES [?]:
Cc1c(cc(o1)c2ccc(cc2)Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H14ClNO2/c1-12-16(18(21)20-15-5-3-2-4-6-15)11-17(22-12)13-7-9-14(19)10-8-13/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,8,12,9,11,4,2,7,10,17,3,5,14,13,16,15,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCOCCCCCCClCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2867 |
Area: | 520.05 |
Solvation: | -2.71456 |
Coulombic: | -30.5518 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.762 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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