benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate

C18H17FN2O4 — CID 171478557

IUPACbenzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
SMILESCC1(C)OC=C(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)O1
InChIInChI=1S/C18H17FN2O4/c1-18(2)24-11-16(25-18)15-8-14(13(19)9-20-15)21-17(22)23-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyFONOCEXYMKDGEL-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.05
Rot. Bonds4

About benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate

benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate (PubChem CID 171478557) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
PubChem CID171478557
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Namebenzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
SMILESCC1(C)OC=C(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)O1
InChIInChI=1S/C18H17FN2O4/c1-18(2)24-11-16(25-18)15-8-14(13(19)9-20-15)21-17(22)23-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyFONOCEXYMKDGEL-UHFFFAOYSA-N
XLogP4.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate
CID 171613853
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 58360340
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate (CID 171478557) is benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate is CC1(C)OC=C(c2cc(NC(=O)OCc3ccccc3)c(F)cn2)O1.
What is the InChIKey of benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate?
The InChIKey is FONOCEXYMKDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-18(2)24-11-16(25-18)15-8-14(13(19)9-20-15)21-17(22)23-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate?
benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate has a molecular weight of 344.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate is sourced from PubChem (CID 171478557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).