N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide

C19H16ClNO4 — CID 7341802

IUPACN-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl
InChIInChI=1S/C19H16ClNO4/c1-23-17-9-7-13(11-16(17)20)21-19(22)18-10-8-15(25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyPVNHTPSNTYDXPM-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.77
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 7341802) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID7341802
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl
InChIInChI=1S/C19H16ClNO4/c1-23-17-9-7-13(11-16(17)20)21-19(22)18-10-8-15(25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyPVNHTPSNTYDXPM-UHFFFAOYSA-N
XLogP4.77
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455504
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide (CID 7341802) is N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is PVNHTPSNTYDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-23-17-9-7-13(11-16(17)20)21-19(22)18-10-8-15(25-18)12-24-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 357.79 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 7341802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).