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Chemical ID: 5815515
Chemical ID:
5815515
Name [?]:
N-(1-carbamoyl-2-phenyl-ethyl)-2,4-dichloro-benzamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)N)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O2/c17-11-6-7-12(13(18)9-11)16(22)20-14(15(19)21)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H2,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,16,7,19,4,18,15,20,8,9,13,22,21,11,12,10,14/E:(2,3)(4,5)/rA:22cCCCCCCCCCONNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.54218 |
Area: | 526.468 |
Solvation: | -3.61952 |
Coulombic: | -48.6572 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.2 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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