phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate

C19H15FN2O3 — CID 18005132

IUPACphenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate
SMILESCOc1c(F)cc(NC(=O)Oc2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C19H15FN2O3/c1-24-18-16(13-6-5-9-21-12-13)10-14(11-17(18)20)22-19(23)25-15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23)
InChIKeyVHHSXTMSVQGBCZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.51
Rot. Bonds4

About phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate

phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate (PubChem CID 18005132) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate
PubChem CID18005132
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Namephenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate
SMILESCOc1c(F)cc(NC(=O)Oc2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C19H15FN2O3/c1-24-18-16(13-6-5-9-21-12-13)10-14(11-17(18)20)22-19(23)25-15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23)
InChIKeyVHHSXTMSVQGBCZ-UHFFFAOYSA-N
XLogP4.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
CID 102340685
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate?
The IUPAC name of phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate (CID 18005132) is phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate.
What is the SMILES notation for phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate?
The canonical SMILES for phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate is COc1c(F)cc(NC(=O)Oc2ccccc2)cc1-c1cccnc1.
What is the InChIKey of phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate?
The InChIKey is VHHSXTMSVQGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-18-16(13-6-5-9-21-12-13)10-14(11-17(18)20)22-19(23)25-15-7-3-2-4-8-15/h2-12H,1H3,(H,22,23).
What are the key properties of phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate?
phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate has a molecular weight of 338.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)carbamate is sourced from PubChem (CID 18005132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).