N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one

C23H24ClFN4O4 — CID 143223901

IUPACN-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
SMILESNC(=O)C1CC1.O=CNc1ccc(Cl)cc1.O=c1ccccn1-c1ccc(NCO)c(F)c1
InChIInChI=1S/C12H11FN2O2.C7H6ClNO.C4H7NO/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/h1-7,14,16H,8H2;1-5H,(H,9,10);3H,1-2H2,(H2,5,6)
InChIKeyIUDYTPKOXWWOOB-UHFFFAOYSA-N
MW474.92 g/mol
LogP3.13
Rot. Bonds6

About N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one

N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one (PubChem CID 143223901) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one.

Molecular Properties

Compound NameN-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
PubChem CID143223901
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC NameN-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
SMILESNC(=O)C1CC1.O=CNc1ccc(Cl)cc1.O=c1ccccn1-c1ccc(NCO)c(F)c1
InChIInChI=1S/C12H11FN2O2.C7H6ClNO.C4H7NO/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/h1-7,14,16H,8H2;1-5H,(H,9,10);3H,1-2H2,(H2,5,6)
InChIKeyIUDYTPKOXWWOOB-UHFFFAOYSA-N
XLogP3.13
TPSA126.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223777
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223895
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223779
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide;N-(2-hydroxyethyl)-N-methylcyclopropanecarboxamide;N-(4-methylphenyl)formamide
CID 143223818
(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
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
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
CID 66882286
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301
5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide
CID 143419889
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one?
The IUPAC name of N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one (CID 143223901) is N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one.
What is the SMILES notation for N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one?
The canonical SMILES for N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one is NC(=O)C1CC1.O=CNc1ccc(Cl)cc1.O=c1ccccn1-c1ccc(NCO)c(F)c1.
What is the InChIKey of N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one?
The InChIKey is IUDYTPKOXWWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2.C7H6ClNO.C4H7NO/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/h1-7,14,16H,8H2;1-5H,(H,9,10);3H,1-2H2,(H2,5,6).
What are the key properties of N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one?
N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one has a molecular weight of 474.92 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one is sourced from PubChem (CID 143223901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).