N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide

C20H20FNO2 — CID 121021346

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F
InChIInChI=1S/C20H20FNO2/c1-14(12-17-13-16-7-3-5-9-19(16)24-17)22-20(23)11-10-15-6-2-4-8-18(15)21/h2-9,13-14H,10-12H2,1H3,(H,22,23)
InChIKeyZFZIGYFEWOFYLH-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.25
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide (PubChem CID 121021346) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
PubChem CID121021346
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F
InChIInChI=1S/C20H20FNO2/c1-14(12-17-13-16-7-3-5-9-19(16)24-17)22-20(23)11-10-15-6-2-4-8-18(15)21/h2-9,13-14H,10-12H2,1H3,(H,22,23)
InChIKeyZFZIGYFEWOFYLH-UHFFFAOYSA-N
XLogP4.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide (CID 121021346) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide is CC(Cc1cc2ccccc2o1)NC(=O)CCc1ccccc1F.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide?
The InChIKey is ZFZIGYFEWOFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14(12-17-13-16-7-3-5-9-19(16)24-17)22-20(23)11-10-15-6-2-4-8-18(15)21/h2-9,13-14H,10-12H2,1H3,(H,22,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 4.25, 6 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]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 121021346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).