N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide

C19H14ClFN2O2 — CID 11175731

IUPACN-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C19H14ClFN2O2/c1-25-18-7-4-13(20)10-16(18)12-2-5-14(6-3-12)23-19(24)15-8-9-22-11-17(15)21/h2-11H,1H3,(H,23,24)
InChIKeyYMWMWBUCWBLRRE-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.80
Rot. Bonds4

About N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 11175731) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID11175731
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC NameN-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C19H14ClFN2O2/c1-25-18-7-4-13(20)10-16(18)12-2-5-14(6-3-12)23-19(24)15-8-9-22-11-17(15)21/h2-11H,1H3,(H,23,24)
InChIKeyYMWMWBUCWBLRRE-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 11175731) is N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide is COc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is YMWMWBUCWBLRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c1-25-18-7-4-13(20)10-16(18)12-2-5-14(6-3-12)23-19(24)15-8-9-22-11-17(15)21/h2-11H,1H3,(H,23,24).
What are the key properties of N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 356.78 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11175731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).