N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

C25H25ClFN3O5 — CID 143223895

IUPACN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H9FN2O2.C7H6ClNO.C6H10O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-8H,(H,14,16);1-5H,(H,9,10);5H,2-4H2,1H3
InChIKeyYQBAUIPLXRBHRC-UHFFFAOYSA-N
MW501.94 g/mol
LogP4.41
Rot. Bonds7

About N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (PubChem CID 143223895) has the molecular formula C25H25ClFN3O5 and a molecular weight of 501.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
PubChem CID143223895
Molecular FormulaC25H25ClFN3O5
Molecular Weight501.94 g/mol
Exact Mass501.15
IUPAC NameN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H9FN2O2.C7H6ClNO.C6H10O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-8H,(H,14,16);1-5H,(H,9,10);5H,2-4H2,1H3
InChIKeyYQBAUIPLXRBHRC-UHFFFAOYSA-N
XLogP4.41
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.94
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223779
N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
CID 143223901
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide
CID 143223818
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 66881688
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-4-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 44582222
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
ethyl (3S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 42643276
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
(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
ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 142689547

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The IUPAC name of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (CID 143223895) is N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.
What is the SMILES notation for N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The canonical SMILES for N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is CCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The InChIKey is YQBAUIPLXRBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2.C7H6ClNO.C6H10O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-8H,(H,14,16);1-5H,(H,9,10);5H,2-4H2,1H3.
What are the key properties of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide has a molecular weight of 501.94 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is sourced from PubChem (CID 143223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).