N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

C26H26ClFN4O3 — CID 58641583

IUPACN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESCN(C)C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C26H26ClFN4O3/c1-31(2)19-13-21(26(35)29-17-8-6-16(27)7-9-17)23(15-19)30-25(34)20-11-10-18(14-22(20)28)32-12-4-3-5-24(32)33/h3-12,14,19,21,23H,13,15H2,1-2H3,(H,29,35)(H,30,34)/t19?,21-,23+/m0/s1
InChIKeyLZYCHJYLOYIYQW-YTVKWDEWSA-N
MW496.97 g/mol
LogP3.71
Rot. Bonds6

About N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 58641583) has the molecular formula C26H26ClFN4O3 and a molecular weight of 496.97 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID58641583
Molecular FormulaC26H26ClFN4O3
Molecular Weight496.97 g/mol
Exact Mass496.17
IUPAC NameN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESCN(C)C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C26H26ClFN4O3/c1-31(2)19-13-21(26(35)29-17-8-6-16(27)7-9-17)23(15-19)30-25(34)20-11-10-18(14-22(20)28)32-12-4-3-5-24(32)33/h3-12,14,19,21,23H,13,15H2,1-2H3,(H,29,35)(H,30,34)/t19?,21-,23+/m0/s1
InChIKeyLZYCHJYLOYIYQW-YTVKWDEWSA-N
XLogP3.71
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882669
N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882554
N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882863
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882678
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide
CID 69047032
N-(2-carbamoylcyclopentyl)-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 18453005
N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 69146777
trans-(1S,2S)-1-N-(4-chlorophenyl)-4-methylidene-2-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1,2-dicarboxamide
CID 11719574
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
(3R,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-N,1-dimethylpyrrolidine-3,4-dicarboxamide
CID 69045961
cis-(2S,3R)-3-N-(4-chlorophenyl)-1-N-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-methylcyclopropane-1,2,3-tricarboxamide
CID 143223851

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 58641583) is N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is CN(C)C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is LZYCHJYLOYIYQW-YTVKWDEWSA-N. The full InChI is InChI=1S/C26H26ClFN4O3/c1-31(2)19-13-21(26(35)29-17-8-6-16(27)7-9-17)23(15-19)30-25(34)20-11-10-18(14-22(20)28)32-12-4-3-5-24(32)33/h3-12,14,19,21,23H,13,15H2,1-2H3,(H,29,35)(H,30,34)/t19?,21-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 496.97 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 58641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).