N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide

C18H14ClNO3 — CID 34131638

IUPACN-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccoc2)cc1
InChIInChI=1S/C18H14ClNO3/c1-12-2-5-15(6-3-12)23-17-7-4-14(19)10-16(17)20-18(21)13-8-9-22-11-13/h2-11H,1H3,(H,20,21)
InChIKeyMMZNDLOHLDDBGN-UHFFFAOYSA-N
MW327.77 g/mol
LogP5.29
Rot. Bonds4

About N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide (PubChem CID 34131638) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
PubChem CID34131638
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC NameN-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccoc2)cc1
InChIInChI=1S/C18H14ClNO3/c1-12-2-5-15(6-3-12)23-17-7-4-14(19)10-16(17)20-18(21)13-8-9-22-11-13/h2-11H,1H3,(H,20,21)
InChIKeyMMZNDLOHLDDBGN-UHFFFAOYSA-N
XLogP5.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.77
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52572154
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55343832
N-[5-(diethylsulfamoyl)-2-(4-ethoxyphenoxy)phenyl]furan-3-carboxamide
CID 34132202
N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
CID 60567428
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide (CID 34131638) is N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide is Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccoc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide?
The InChIKey is MMZNDLOHLDDBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-12-2-5-15(6-3-12)23-17-7-4-14(19)10-16(17)20-18(21)13-8-9-22-11-13/h2-11H,1H3,(H,20,21).
What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide?
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 34131638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).