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

C25H26ClN3O5 — CID 143223779

IUPACN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H10N2O2.C7H6ClNO.C6H10O2/c15-9-13-10-4-6-11(7-5-10)14-8-2-1-3-12(14)16;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-9H,(H,13,15);1-5H,(H,9,10);5H,2-4H2,1H3
InChIKeyUSYPEBNNRZKECL-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.27
Rot. Bonds7

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

N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide (PubChem CID 143223779) has the molecular formula C25H26ClN3O5 and a molecular weight of 483.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
PubChem CID143223779
Molecular FormulaC25H26ClN3O5
Molecular Weight483.95 g/mol
Exact Mass483.16
IUPAC NameN-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESCCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C12H10N2O2.C7H6ClNO.C6H10O2/c15-9-13-10-4-6-11(7-5-10)14-8-2-1-3-12(14)16;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-9H,(H,13,15);1-5H,(H,9,10);5H,2-4H2,1H3
InChIKeyUSYPEBNNRZKECL-UHFFFAOYSA-N
XLogP4.27
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.27
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-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223895
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108886635
ethyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
CID 4587576
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
ethyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]cyclohexane-1-carboxylate
CID 165399811
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593480
ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
CID 11552885
ethyl 1-[1-(4-chlorophenyl)-3-phenylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42754580

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide?
The IUPAC name of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide (CID 143223779) is N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide.
What is the SMILES notation for N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide?
The canonical SMILES for N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide is CCOC(=O)C1CC1.O=CNc1ccc(-n2ccccc2=O)cc1.O=CNc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide?
The InChIKey is USYPEBNNRZKECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.C7H6ClNO.C6H10O2/c15-9-13-10-4-6-11(7-5-10)14-8-2-1-3-12(14)16;8-6-1-3-7(4-2-6)9-5-10;1-2-8-6(7)5-3-4-5/h1-9H,(H,13,15);1-5H,(H,9,10);5H,2-4H2,1H3.
What are the key properties of N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide?
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide has a molecular weight of 483.95 g/mol, XLogP of 4.27, 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-[4-(2-oxo-1-pyridinyl)phenyl]formamide is sourced from PubChem (CID 143223779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).