Chemical ID: 7359840

CN(CC(=O)Nc1ccccc1Cl)C(=O)c2cc(c(c(c2F)F)F)F
Chemical ID:
7359840
Name [?]:
N-[(2-chlorophenyl)carbamoylmethyl]-2,3,4,5-tetrafluoro-N-methyl-benzamide
SMILES [?]:
CN(CC(=O)Nc1ccccc1Cl)C(=O)c2cc(c(c(c2F)F)F)F
InChi [?]:
InChI=1/C16H11ClF4N2O2/c1-23(7-12(24)22-11-5-3-2-4-9(11)17)16(25)8-6-10(18)14(20)15(21)13(8)19/h2-6H,7H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,17,3,16,12,18,7,4,21,19,20,14,13,25,22,24,23,6,2,5,15/rA:25nCNCCONCCCCCCClCOCCCCCCFFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s2;d14;s14;s16;d17;s18;d19;d16s20;s21;s20;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClF4N2O2
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.77578
Area:522.548
Solvation:-7.28792
Coulombic:-48.6041
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.717
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.57
LogP (Chemaxon):2.7

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Descriptor Annotations

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