(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate

C19H14ClFN2O3 — CID 67533587

IUPAC(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(Cl)cc1-c1ccc(NC(=O)Oc2ccncc2F)cc1
InChIInChI=1S/C19H14ClFN2O3/c1-25-17-7-4-13(20)10-15(17)12-2-5-14(6-3-12)23-19(24)26-18-8-9-22-11-16(18)21/h2-11H,1H3,(H,23,24)
InChIKeyUYFQZFVJYQITEB-UHFFFAOYSA-N
MW372.78 g/mol
LogP5.16
Rot. Bonds4

About (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate

(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate (PubChem CID 67533587) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate
PubChem CID67533587
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate
SMILESCOc1ccc(Cl)cc1-c1ccc(NC(=O)Oc2ccncc2F)cc1
InChIInChI=1S/C19H14ClFN2O3/c1-25-17-7-4-13(20)10-15(17)12-2-5-14(6-3-12)23-19(24)26-18-8-9-22-11-16(18)21/h2-11H,1H3,(H,23,24)
InChIKeyUYFQZFVJYQITEB-UHFFFAOYSA-N
XLogP5.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.78
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate?
The IUPAC name of (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate (CID 67533587) is (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate.
What is the SMILES notation for (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate?
The canonical SMILES for (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate is COc1ccc(Cl)cc1-c1ccc(NC(=O)Oc2ccncc2F)cc1.
What is the InChIKey of (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate?
The InChIKey is UYFQZFVJYQITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c1-25-17-7-4-13(20)10-15(17)12-2-5-14(6-3-12)23-19(24)26-18-8-9-22-11-16(18)21/h2-11H,1H3,(H,23,24).
What are the key properties of (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate?
(3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate has a molecular weight of 372.78 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl) N-[4-(5-chloro-2-methoxyphenyl)phenyl]carbamate is sourced from PubChem (CID 67533587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).