(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate

C15H11F5N2O2 — CID 87883878

IUPAC(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate
SMILESCCN(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)c1ccnc(C)c1
InChIInChI=1S/C15H11F5N2O2/c1-3-22(8-4-5-21-7(2)6-8)15(23)24-14-12(19)10(17)9(16)11(18)13(14)20/h4-6H,3H2,1-2H3
InChIKeyVLTSUCFDXGKGCY-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.11
Rot. Bonds3

About (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate

(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate (PubChem CID 87883878) has the molecular formula C15H11F5N2O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate
PubChem CID87883878
Molecular FormulaC15H11F5N2O2
Molecular Weight346.26 g/mol
Exact Mass346.07
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate
SMILESCCN(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)c1ccnc(C)c1
InChIInChI=1S/C15H11F5N2O2/c1-3-22(8-4-5-21-7(2)6-8)15(23)24-14-12(19)10(17)9(16)11(18)13(14)20/h4-6H,3H2,1-2H3
InChIKeyVLTSUCFDXGKGCY-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-amino-4-pyridinyl)-N-ethylcarbamate
CID 145083891
1-[(4-chlorophenyl)methyl]-3-[3-[[ethyl-(2-methyl-4-pyridinyl)amino]methyl]cyclobutyl]urea
CID 166835220
(2-methyl-4-pyridinyl) carbonochloridate
CID 57252286
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 114270645
(2,3-difluoro-4-pyridinyl) butanoate
CID 70080810
methyl N-[4-[5-(aminomethyl)-2-pyridinyl]-3-fluorophenyl]-N-ethylcarbamate
CID 143081927
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
CID 142224327
N-ethyl-2-fluoro-N-(3-hydroxyphenyl)pyridine-4-carboxamide
CID 107856603
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate (CID 87883878) is (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate is CCN(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)c1ccnc(C)c1.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate?
The InChIKey is VLTSUCFDXGKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O2/c1-3-22(8-4-5-21-7(2)6-8)15(23)24-14-12(19)10(17)9(16)11(18)13(14)20/h4-6H,3H2,1-2H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate?
(2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate has a molecular weight of 346.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) N-ethyl-N-(2-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 87883878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).