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Chemical ID: 4238303
Chemical ID:
4238303
Name [?]:
N-(2-butanoylaminophenyl)-2-chloro-benzamide
SMILES [?]:
CCCC(=O)Nc1ccccc1NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C17H17ClN2O2/c1-2-7-16(21)19-14-10-5-6-11-15(14)20-17(22)12-8-3-4-9-13(12)18/h3-6,8-11H,2,7H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,9,10,3,17,20,8,11,16,21,7,12,4,14,22,6,13,5,15/rA:22nCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89166 |
Area: | 519.563 |
Solvation: | -3.0974 |
Coulombic: | -42.9011 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.782 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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