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Chemical ID: 5934272
Chemical ID:
5934272
Name [?]:
N-butyl-3,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILES [?]:
CCCCN(Cc1cccn1C)C(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H20Cl2N2O/c1-3-4-8-21(12-16-6-5-7-20(16)2)17(22)13-9-14(18)11-15(19)10-13/h5-7,9-11H,3-4,8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,9,8,10,4,16,20,18,6,15,17,19,7,13,22,21,11,5,14/E:(9,10)(14,15)(18,19)/rA:22nCCCCNCCCCCNCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s5;d13;s13;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20Cl2N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.176 |
Area: | 530.795 |
Solvation: | -2.09384 |
Coulombic: | -24.7228 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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