N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide

C19H24FNO3 — CID 78882328

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)o1
InChIInChI=1S/C19H24FNO3/c1-19(2,3)11-16(13-5-7-14(20)8-6-13)21-18(22)17-10-9-15(24-17)12-23-4/h5-10,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyPFYNRNWCSHMHTL-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.47
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78882328) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78882328
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)o1
InChIInChI=1S/C19H24FNO3/c1-19(2,3)11-16(13-5-7-14(20)8-6-13)21-18(22)17-10-9-15(24-17)12-23-4/h5-10,16H,11-12H2,1-4H3,(H,21,22)
InChIKeyPFYNRNWCSHMHTL-UHFFFAOYSA-N
XLogP4.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
CID 55751531
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
methyl (3S)-3-[(5-bromofuran-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 51967895
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78868230
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824819
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 110281606
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824534
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78882328) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC(CC(C)(C)C)c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is PFYNRNWCSHMHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-19(2,3)11-16(13-5-7-14(20)8-6-13)21-18(22)17-10-9-15(24-17)12-23-4/h5-10,16H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78882328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).