N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C21H20FNO2 — CID 119104163

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FNO2/c1-14(12-18-13-15-4-2-3-5-19(15)25-18)23-20(24)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,24)
InChIKeyQCVCWPKUBNBVCT-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.35
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 119104163) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID119104163
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FNO2/c1-14(12-18-13-15-4-2-3-5-19(15)25-18)23-20(24)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,24)
InChIKeyQCVCWPKUBNBVCT-UHFFFAOYSA-N
XLogP4.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 119104163) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CC(Cc1cc2ccccc2o1)NC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QCVCWPKUBNBVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-14(12-18-13-15-4-2-3-5-19(15)25-18)23-20(24)21(10-11-21)16-6-8-17(22)9-7-16/h2-9,13-14H,10-12H2,1H3,(H,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).