N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

C25H27ClFN3O5 — CID 143223777

IUPACN-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCC.O=C(O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H9FN2O2.C7H6ClNO.C4H6O2.C2H6/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;5-4(6)3-1-2-3;1-2/h1-8H,(H,14,16);1-5H,(H,9,10);3H,1-2H2,(H,5,6);1-2H3
InChIKeyXQXQUKDFTYIHLM-UHFFFAOYSA-N
MW503.96 g/mol
LogP4.96
Rot. Bonds6

About N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (PubChem CID 143223777) has the molecular formula C25H27ClFN3O5 and a molecular weight of 503.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
PubChem CID143223777
Molecular FormulaC25H27ClFN3O5
Molecular Weight503.96 g/mol
Exact Mass503.16
IUPAC NameN-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCC.O=C(O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H9FN2O2.C7H6ClNO.C4H6O2.C2H6/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;5-4(6)3-1-2-3;1-2/h1-8H,(H,14,16);1-5H,(H,9,10);3H,1-2H2,(H,5,6);1-2H3
InChIKeyXQXQUKDFTYIHLM-UHFFFAOYSA-N
XLogP4.96
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.96
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223895
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
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223779
(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
(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
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
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
tert-butyl 2-[[1-(3-fluoro-4-formamidophenyl)-2-oxo-4-pyridinyl]oxy]acetate;ethane;methoxymethylcyclopropane;N-(4-methylphenyl)formamide
CID 143223808
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The IUPAC name of N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (CID 143223777) is N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.
What is the SMILES notation for N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The canonical SMILES for N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is CC.O=C(O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1F.O=CNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The InChIKey is XQXQUKDFTYIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2.C7H6ClNO.C4H6O2.C2H6/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;5-4(6)3-1-2-3;1-2/h1-8H,(H,14,16);1-5H,(H,9,10);3H,1-2H2,(H,5,6);1-2H3.
What are the key properties of N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide has a molecular weight of 503.96 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is sourced from PubChem (CID 143223777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).