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Chemical ID: 5901107
Chemical ID:
5901107
Name [?]:
4-chloro-N-[(4-fluorophenyl)carbamoylmethyl]butanamide
SMILES [?]:
c1cc(ccc1NC(=O)CNC(=O)CCCCl)F
InChi [?]:
InChI=1/C12H14ClFN2O2/c13-7-1-2-11(17)15-8-12(18)16-10-5-3-9(14)4-6-10/h3-6H,1-2,7-8H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,14,2,4,1,5,16,10,3,6,12,8,17,18,11,7,13,9/E:(3,4)(5,6)/rA:18nCCCCCCNCOCNCOCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14ClFN2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97106 |
Area: | 478.385 |
Solvation: | -3.98858 |
Coulombic: | -44.2062 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 272.703 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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