6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide

C26H23ClFN3O3 — CID 45168661

IUPAC6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(F)c3c(c2)CC(CNC(=O)C2(c4ccc(Cl)cc4)CCC2)O3)nc1
InChIInChI=1S/C26H23ClFN3O3/c27-19-5-3-18(4-6-19)26(8-1-9-26)25(33)31-14-20-11-17-10-16(12-21(28)23(17)34-20)22-7-2-15(13-30-22)24(29)32/h2-7,10,12-13,20H,1,8-9,11,14H2,(H2,29,32)(H,31,33)
InChIKeyUULXZWDRWQDXRB-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.18
Rot. Bonds6

About 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide

6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide (PubChem CID 45168661) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide
PubChem CID45168661
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(F)c3c(c2)CC(CNC(=O)C2(c4ccc(Cl)cc4)CCC2)O3)nc1
InChIInChI=1S/C26H23ClFN3O3/c27-19-5-3-18(4-6-19)26(8-1-9-26)25(33)31-14-20-11-17-10-16(12-21(28)23(17)34-20)22-7-2-15(13-30-22)24(29)32/h2-7,10,12-13,20H,1,8-9,11,14H2,(H2,29,32)(H,31,33)
InChIKeyUULXZWDRWQDXRB-UHFFFAOYSA-N
XLogP4.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 25364335
1-(4-chlorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 45165797
1-(4-chlorophenyl)-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropane-1-carboxamide
CID 45178231
1-(4-chlorophenyl)-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 42210154
1-(4-chlorophenyl)-N-[[5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopropane-1-carboxamide
CID 45192412
N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 42189849
(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 122441198
(1S)-N-[[(2S)-7-fluoro-5-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 26339810
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 126463398
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26279242

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide (CID 45168661) is 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2cc(F)c3c(c2)CC(CNC(=O)C2(c4ccc(Cl)cc4)CCC2)O3)nc1.
What is the InChIKey of 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide?
The InChIKey is UULXZWDRWQDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c27-19-5-3-18(4-6-19)26(8-1-9-26)25(33)31-14-20-11-17-10-16(12-21(28)23(17)34-20)22-7-2-15(13-30-22)24(29)32/h2-7,10,12-13,20H,1,8-9,11,14H2,(H2,29,32)(H,31,33).
What are the key properties of 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide?
6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]methyl]-7-fluoro-2,3-dihydro-1-benzofuran-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45168661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).