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

C26H26ClFN4O3 — CID 66882669

IUPACN-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESCN(C)C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)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)
InChIKeyLZYCHJYLOYIYQW-UHFFFAOYSA-N
MW496.97 g/mol
LogP3.71
Rot. Bonds6

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

N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 66882669) has the molecular formula C26H26ClFN4O3 and a molecular weight of 496.97 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID66882669
Molecular FormulaC26H26ClFN4O3
Molecular Weight496.97 g/mol
Exact Mass496.17
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESCN(C)C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)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)
InChIKeyLZYCHJYLOYIYQW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 66882669) is N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is CN(C)C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is LZYCHJYLOYIYQW-UHFFFAOYSA-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).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[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-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 66882669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).