phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate

C18H21FN2O2 — CID 146571327

IUPACphenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)c1ncc(F)c(C(C)C)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-11(2)15-14(19)10-20-16(12(3)4)17(15)21-18(22)23-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,21,22)
InChIKeyKIQSCSNNMMIUNY-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.08
Rot. Bonds4

About phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate

phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate (PubChem CID 146571327) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate
PubChem CID146571327
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Namephenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)c1ncc(F)c(C(C)C)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-11(2)15-14(19)10-20-16(12(3)4)17(15)21-18(22)23-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,21,22)
InChIKeyKIQSCSNNMMIUNY-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
phenyl N-(2,6-difluoro-3-methylphenyl)carbamate
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CID 3790948
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-[1-(2-fluorophenyl)ethyl]carbamate
CID 60630442
phenyl N-(2,3,5-trifluorophenyl)carbamate
CID 64592474
phenyl N-(4-chloro-6-fluoro-3-methyl-2-nitrophenyl)carbamate
CID 18615646
phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate
CID 20829965
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
methyl 3-[3-fluoro-2-(phenoxycarbonylamino)phenyl]prop-2-enoate
CID 123900615

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate (CID 146571327) is phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate is CC(C)c1ncc(F)c(C(C)C)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate?
The InChIKey is KIQSCSNNMMIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11(2)15-14(19)10-20-16(12(3)4)17(15)21-18(22)23-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,21,22).
What are the key properties of phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate?
phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate has a molecular weight of 316.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-fluoro-2,4-di(propan-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 146571327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).