8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide

C29H29FN2O4 — CID 142942110

IUPAC8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
SMILESO=C(NCC=C1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cccc(F)c2o1
InChIInChI=1S/C29H29FN2O4/c30-24-8-3-7-23-25(33)17-26(36-28(23)24)29(35)31-15-14-19-10-12-20(13-11-19)22-6-2-1-5-21(22)18-32-16-4-9-27(32)34/h1-3,5-8,14,17,20H,4,9-13,15-16,18H2,(H,31,35)/b19-14-
InChIKeyUFXNDZLHDUPNBL-RGEXLXHISA-N
MW488.56 g/mol
LogP5.07
Rot. Bonds6

About 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide

8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide (PubChem CID 142942110) has the molecular formula C29H29FN2O4 and a molecular weight of 488.56 g/mol. Its IUPAC name is 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
PubChem CID142942110
Molecular FormulaC29H29FN2O4
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
SMILESO=C(NCC=C1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cccc(F)c2o1
InChIInChI=1S/C29H29FN2O4/c30-24-8-3-7-23-25(33)17-26(36-28(23)24)29(35)31-15-14-19-10-12-20(13-11-19)22-6-2-1-5-21(22)18-32-16-4-9-27(32)34/h1-3,5-8,14,17,20H,4,9-13,15-16,18H2,(H,31,35)/b19-14-
InChIKeyUFXNDZLHDUPNBL-RGEXLXHISA-N
XLogP5.07
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
CID 142942105
1-chloro-4-methylbenzene;7-methoxy-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
CID 142942104
6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941975
8-chloro-N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58917714
6,8-dichloro-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58917656
8-chloro-N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768179
N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 58917569
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-7-fluoro-4-oxochromene-2-carboxamide
CID 58917736
8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768365
7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142942043
N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-6,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58917493
6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941872

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The IUPAC name of 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide (CID 142942110) is 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The canonical SMILES for 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide is O=C(NCC=C1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cccc(F)c2o1.
What is the InChIKey of 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
The InChIKey is UFXNDZLHDUPNBL-RGEXLXHISA-N. The full InChI is InChI=1S/C29H29FN2O4/c30-24-8-3-7-23-25(33)17-26(36-28(23)24)29(35)31-15-14-19-10-12-20(13-11-19)22-6-2-1-5-21(22)18-32-16-4-9-27(32)34/h1-3,5-8,14,17,20H,4,9-13,15-16,18H2,(H,31,35)/b19-14-.
What are the key properties of 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide?
8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 142942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).