4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C34H30FNO4 — CID 3269349

IUPAC4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCc2ccc(CO)cc2)O1
InChIInChI=1S/C34H30FNO4/c35-27-14-12-22(13-15-27)19-36-34(38)32-17-26(18-33(40-32)39-21-24-10-8-23(20-37)9-11-24)29-6-3-7-30-28-5-2-1-4-25(28)16-31(29)30/h1-15,17,26,33,37H,16,18-21H2,(H,36,38)
InChIKeyMTZRCICWEGGMOQ-UHFFFAOYSA-N
MW535.62 g/mol
LogP6.14
Rot. Bonds8

About 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 3269349) has the molecular formula C34H30FNO4 and a molecular weight of 535.62 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID3269349
Molecular FormulaC34H30FNO4
Molecular Weight535.62 g/mol
Exact Mass535.22
IUPAC Name4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCc2ccc(CO)cc2)O1
InChIInChI=1S/C34H30FNO4/c35-27-14-12-22(13-15-27)19-36-34(38)32-17-26(18-33(40-32)39-21-24-10-8-23(20-37)9-11-24)29-6-3-7-30-28-5-2-1-4-25(28)16-31(29)30/h1-15,17,26,33,37H,16,18-21H2,(H,36,38)
InChIKeyMTZRCICWEGGMOQ-UHFFFAOYSA-N
XLogP6.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.62
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668440
(2S,4S)-N-benzyl-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669381
N-cyclohexyl-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 4195736
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930824
(2R,4R)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6666987
(2S,4S)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-4-(9H-fluoren-1-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668786
(2S,4S)-4-(1-acetylindol-3-yl)-N-benzyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668512
(2S,4S)-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6670468
(2S,4S)-N-cyclobutyl-4-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760560
(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669940
(2S,4S)-N-benzyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6670572
(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669553

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 3269349) is 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCc1ccc(F)cc1)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCc2ccc(CO)cc2)O1.
What is the InChIKey of 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MTZRCICWEGGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FNO4/c35-27-14-12-22(13-15-27)19-36-34(38)32-17-26(18-33(40-32)39-21-24-10-8-23(20-37)9-11-24)29-6-3-7-30-28-5-2-1-4-25(28)16-31(29)30/h1-15,17,26,33,37H,16,18-21H2,(H,36,38).
What are the key properties of 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 3269349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).