2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide

C17H11ClFNO3 — CID 7463394

IUPAC2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
SMILESO=C(CCl)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11ClFNO3/c18-9-14(21)20-17-15(10-5-7-11(19)8-6-10)16(22)12-3-1-2-4-13(12)23-17/h1-8H,9H2,(H,20,21)
InChIKeyXPGBLOHFFGSONZ-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide

2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide (PubChem CID 7463394) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
PubChem CID7463394
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC Name2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
SMILESO=C(CCl)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11ClFNO3/c18-9-14(21)20-17-15(10-5-7-11(19)8-6-10)16(22)12-3-1-2-4-13(12)23-17/h1-8H,9H2,(H,20,21)
InChIKeyXPGBLOHFFGSONZ-UHFFFAOYSA-N
XLogP3.78
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutyl-[2-[[3-(4-fluorophenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]azanium
CID 7463114
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
N-[6-chloro-3-(4-fluorophenyl)-4-oxochromen-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7693526
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
4-[2-(4-fluorophenyl)-4-oxochromen-3-yl]benzaldehyde
CID 167313341
2-(1-bromoethyl)-3-(4-fluorophenyl)chromen-4-one
CID 53234761
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4975081
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide (CID 7463394) is 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide is O=C(CCl)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide?
The InChIKey is XPGBLOHFFGSONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c18-9-14(21)20-17-15(10-5-7-11(19)8-6-10)16(22)12-3-1-2-4-13(12)23-17/h1-8H,9H2,(H,20,21).
What are the key properties of 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide?
2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide has a molecular weight of 331.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide is sourced from PubChem (CID 7463394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).