N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide

C17H12Cl2N2O3 — CID 73058458

IUPACN-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)c(Cl)c2)o1
InChIInChI=1S/C17H12Cl2N2O3/c1-10-2-5-15(23-10)17(22)21-12-4-6-14(13(19)8-12)24-16-7-3-11(18)9-20-16/h2-9H,1H3,(H,21,22)
InChIKeyLFVVSWLEVYWHCB-UHFFFAOYSA-N
MW363.20 g/mol
LogP5.33
Rot. Bonds4

About N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide

N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 73058458) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
PubChem CID73058458
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)c(Cl)c2)o1
InChIInChI=1S/C17H12Cl2N2O3/c1-10-2-5-15(23-10)17(22)21-12-4-6-14(13(19)8-12)24-16-7-3-11(18)9-20-16/h2-9H,1H3,(H,21,22)
InChIKeyLFVVSWLEVYWHCB-UHFFFAOYSA-N
XLogP5.33
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.20
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
CID 73058486
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890
N-(4-ethoxy-3-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 17439560
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide (CID 73058458) is N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)c(Cl)c2)o1.
What is the InChIKey of N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is LFVVSWLEVYWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-10-2-5-15(23-10)17(22)21-12-4-6-14(13(19)8-12)24-16-7-3-11(18)9-20-16/h2-9H,1H3,(H,21,22).
What are the key properties of N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide?
N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 73058458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).