5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C17H12Cl2N2O3 — CID 2814401

IUPAC5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C17H12Cl2N2O3/c18-12-7-13(19)9-14(8-12)23-16-2-1-15(24-16)17(22)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,22)
InChIKeyLYEXFAXQAXEYQS-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.70
Rot. Bonds5

About 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 2814401) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID2814401
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C17H12Cl2N2O3/c18-12-7-13(19)9-14(8-12)23-16-2-1-15(24-16)17(22)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,22)
InChIKeyLYEXFAXQAXEYQS-UHFFFAOYSA-N
XLogP4.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
CID 71691402
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-[(3-carbamoylphenyl)methyl]-5-phenoxyfuran-2-carboxamide
CID 71863392
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 71691397
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 91795041
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 2814401) is 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is O=C(NCc1ccncc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is LYEXFAXQAXEYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-12-7-13(19)9-14(8-12)23-16-2-1-15(24-16)17(22)21-10-11-3-5-20-6-4-11/h1-9H,10H2,(H,21,22).
What are the key properties of 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2814401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).