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

C21H17FN2O2 — CID 97213431

IUPAC(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1COc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-16-7-5-14(6-8-16)20(15-9-11-23-12-10-15)24-21(25)18-13-26-19-4-2-1-3-17(18)19/h1-12,18,20H,13H2,(H,24,25)/t18-,20-/m1/s1
InChIKeyNRRDIPWSOVBOBM-UYAOXDASSA-N
MW348.38 g/mol
LogP3.60
Rot. Bonds4

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

(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213431) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213431
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1COc2ccccc21
InChIInChI=1S/C21H17FN2O2/c22-16-7-5-14(6-8-16)20(15-9-11-23-12-10-15)24-21(25)18-13-26-19-4-2-1-3-17(18)19/h1-12,18,20H,13H2,(H,24,25)/t18-,20-/m1/s1
InChIKeyNRRDIPWSOVBOBM-UYAOXDASSA-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

Analyze (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 75371335
(3R)-N-[(S)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213427
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 125132862
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51927321
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213431) is (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is NRRDIPWSOVBOBM-UYAOXDASSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-16-7-5-14(6-8-16)20(15-9-11-23-12-10-15)24-21(25)18-13-26-19-4-2-1-3-17(18)19/h1-12,18,20H,13H2,(H,24,25)/t18-,20-/m1/s1.
What are the key properties of (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-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 (3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).