CID 156823067

C14H13B2ClF3N3O2 — CID 156823067

IUPAC—
SMILES[B]C1([B])c2cc(Cl)c(C(F)(F)F)cc2CN1C(=O)CCC(N)C(N)=O
InChIInChI=1S/C14H13B2ClF3N3O2/c15-13(16)7-4-9(17)8(14(18,19)20)3-6(7)5-23(13)11(24)2-1-10(21)12(22)25/h3-4,10H,1-2,5,21H2,(H2,22,25)
InChIKeyIZJQGMFVYIAPIU-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.74
Rot. Bonds4

About CID 156823067

CID 156823067 (PubChem CID 156823067) has the molecular formula C14H13B2ClF3N3O2 and a molecular weight of 369.35 g/mol.

Molecular Properties

Compound NameCID 156823067
PubChem CID156823067
Molecular FormulaC14H13B2ClF3N3O2
Molecular Weight369.35 g/mol
Exact Mass369.08
IUPAC Name—
SMILES[B]C1([B])c2cc(Cl)c(C(F)(F)F)cc2CN1C(=O)CCC(N)C(N)=O
InChIInChI=1S/C14H13B2ClF3N3O2/c15-13(16)7-4-9(17)8(14(18,19)20)3-6(7)5-23(13)11(24)2-1-10(21)12(22)25/h3-4,10H,1-2,5,21H2,(H2,22,25)
InChIKeyIZJQGMFVYIAPIU-UHFFFAOYSA-N
XLogP0.74
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67460669
(2S)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67461494
(2S)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 156009582
(2S)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 156015776
(2R)-N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-2-carboxamide
CID 99835354
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 155809017
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42641012
2-Amino-3-[2-chloro-4-[2-[3-(trifluoromethyl)phenyl]ethenyl]phenyl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69239372
3-[5-[[[2-(3-Chloro-4-methylphenyl)-2,2-difluoroethyl]amino]methyl]-1,3-dihydroisoindol-2-yl]piperidin-2-one
CID 144997331
5-[5-chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2-formamido-N-methyl-5-oxopentanamide
CID 156822864
CID 156822867
CID 156822867
5-[3-[5-Chloro-1-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
CID 156822886

Frequently Asked Questions

What is the IUPAC name of CID 156823067?
The IUPAC name of CID 156823067 (CID 156823067) is not available.
What is the SMILES notation for CID 156823067?
The canonical SMILES for CID 156823067 is [B]C1([B])c2cc(Cl)c(C(F)(F)F)cc2CN1C(=O)CCC(N)C(N)=O.
What is the InChIKey of CID 156823067?
The InChIKey is IZJQGMFVYIAPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13B2ClF3N3O2/c15-13(16)7-4-9(17)8(14(18,19)20)3-6(7)5-23(13)11(24)2-1-10(21)12(22)25/h3-4,10H,1-2,5,21H2,(H2,22,25).
What are the key properties of CID 156823067?
CID 156823067 has a molecular weight of 369.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156823067 is sourced from PubChem (CID 156823067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).