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Chemical ID: 7270914
Chemical ID:
7270914
Name [?]:
2,4-difluoro-N-[(2-methoxyphenyl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C19H20F2N2O3/c1-3-10-23(19(25)14-9-8-13(20)11-15(14)21)12-18(24)22-16-6-4-5-7-17(16)26-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,2,11,12,10,13,21,20,3,23,5,22,19,24,9,14,6,17,26,25,8,4,7,18,15/rA:26nCCCNCCONCCCCCCOCCOCCCCCCFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s4;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20F2N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27847 |
Area: | 553.942 |
Solvation: | -6.57009 |
Coulombic: | -51.328 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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