N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C21H17FN2O2 — CID 75371335

IUPACN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccccn1)C1COc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-15-10-8-14(9-11-15)20(18-6-3-4-12-23-18)24-21(25)17-13-26-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2,(H,24,25)
InChIKeyKQXIZYNHJYCNFA-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.60
Rot. Bonds4

About N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 75371335) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID75371335
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccccn1)C1COc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-15-10-8-14(9-11-15)20(18-6-3-4-12-23-18)24-21(25)17-13-26-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2,(H,24,25)
InChIKeyKQXIZYNHJYCNFA-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213431
(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213427
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 36951570
2-[4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]-2-methylpropanoic acid
CID 121413267
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide
CID 97220616
3-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95327051
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 125132862
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140347
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 75371335) is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NC(c1ccc(F)cc1)c1ccccn1)C1COc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is KQXIZYNHJYCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-15-10-8-14(9-11-15)20(18-6-3-4-12-23-18)24-21(25)17-13-26-19-7-2-1-5-16(17)19/h1-12,17,20H,13H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 75371335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).