N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C16H16FNO2 — CID 47450071

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2c2ccco2)ccc1F
InChIInChI=1S/C16H16FNO2/c1-10-7-11(4-5-14(10)17)9-18-16(19)13-8-12(13)15-3-2-6-20-15/h2-7,12-13H,8-9H2,1H3,(H,18,19)
InChIKeyCNKUKWNGRBFFPE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 47450071) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID47450071
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2c2ccco2)ccc1F
InChIInChI=1S/C16H16FNO2/c1-10-7-11(4-5-14(10)17)9-18-16(19)13-8-12(13)15-3-2-6-20-15/h2-7,12-13H,8-9H2,1H3,(H,18,19)
InChIKeyCNKUKWNGRBFFPE-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 86851617
2-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 47466338
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97204314
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
cis-(1S,2R)-2-(furan-2-yl)-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 97011479
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 75526323
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
2-(furan-2-yl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 86852820
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86852864
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 47450071) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2CC2c2ccco2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CNKUKWNGRBFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-7-11(4-5-14(10)17)9-18-16(19)13-8-12(13)15-3-2-6-20-15/h2-7,12-13H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47450071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).