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Chemical ID: 4771300
Chemical ID:
4771300
Name [?]:
4-chloro-N-[(4-chlorophenyl)methyl]-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1cc(cnc1)CN(Cc2ccc(cc2)Cl)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H16Cl2N2O/c21-18-7-3-15(4-8-18)13-24(14-16-2-1-11-23-12-16)20(25)17-5-9-19(22)10-6-17/h1-12H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,11,15,20,24,12,14,21,23,6,4,9,7,10,3,19,13,22,17,16,25,5,8,18/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCNCCNCCCCCCCClCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl2N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4417 |
Area: | 570.458 |
Solvation: | -2.81974 |
Coulombic: | -25.286 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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