N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide

C16H18FNO3 — CID 56707703

IUPACN-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(F)c1-c1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C16H18FNO3/c1-16(2,3)18-15(19)13-9-8-12(21-13)14-10(17)6-5-7-11(14)20-4/h5-9H,1-4H3,(H,18,19)
InChIKeyBMEDHMXHBZMMKL-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.62
Rot. Bonds3

About N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide

N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide (PubChem CID 56707703) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
PubChem CID56707703
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC NameN-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(F)c1-c1ccc(C(=O)NC(C)(C)C)o1
InChIInChI=1S/C16H18FNO3/c1-16(2,3)18-15(19)13-9-8-12(21-13)14-10(17)6-5-7-11(14)20-4/h5-9H,1-4H3,(H,18,19)
InChIKeyBMEDHMXHBZMMKL-UHFFFAOYSA-N
XLogP3.62
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluoro-6-methoxyphenyl)phenyl]-2-methylpropanamide
CID 56713578
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
CID 1370910
N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126433393
N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide
CID 134541444
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N,5-bis(2,6-dimethylphenyl)furan-2-carboxamide
CID 54586462
N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
CID 139348151
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
N-tert-butyl-7-methoxy-1-methylindole-2-carboxamide
CID 110855334
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide (CID 56707703) is N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide is COc1cccc(F)c1-c1ccc(C(=O)NC(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide?
The InChIKey is BMEDHMXHBZMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-16(2,3)18-15(19)13-9-8-12(21-13)14-10(17)6-5-7-11(14)20-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide?
N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 56707703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).