N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide

C18H15FN2O3 — CID 91689974

IUPACN-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1N
InChIInChI=1S/C18H15FN2O3/c1-23-16-7-6-13(10-14(16)20)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyHNLPEJUZKLEZOY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.93
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide

N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 91689974) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID91689974
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1N
InChIInChI=1S/C18H15FN2O3/c1-23-16-7-6-13(10-14(16)20)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyHNLPEJUZKLEZOY-UHFFFAOYSA-N
XLogP3.93
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide (CID 91689974) is N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is HNLPEJUZKLEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-16-7-6-13(10-14(16)20)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide?
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 91689974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).