2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide

C21H20ClNO3 — CID 110274494

IUPAC2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
SMILESCC(C)c1ccc2oc(=O)cc(CNC(=O)C(Cl)c3ccccc3)c2c1
InChIInChI=1S/C21H20ClNO3/c1-13(2)15-8-9-18-17(10-15)16(11-19(24)26-18)12-23-21(25)20(22)14-6-4-3-5-7-14/h3-11,13,20H,12H2,1-2H3,(H,23,25)
InChIKeyNUWTVHIEOAKAEF-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.51
Rot. Bonds5

About 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide

2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide (PubChem CID 110274494) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
PubChem CID110274494
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
SMILESCC(C)c1ccc2oc(=O)cc(CNC(=O)C(Cl)c3ccccc3)c2c1
InChIInChI=1S/C21H20ClNO3/c1-13(2)15-8-9-18-17(10-15)16(11-19(24)26-18)12-23-21(25)20(22)14-6-4-3-5-7-14/h3-11,13,20H,12H2,1-2H3,(H,23,25)
InChIKeyNUWTVHIEOAKAEF-UHFFFAOYSA-N
XLogP4.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
CID 110274492
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
4-[(4-ethylpiperazin-1-yl)methyl]-6-propan-2-ylchromen-2-one
CID 4893279
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-chloro-N-[(5,7-dimethyl-2-oxochromen-4-yl)methyl]propanamide
CID 110274784
4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-6-propan-2-ylchromen-2-one
CID 7645882
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide
CID 110274497
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
4-[[4-(hydroxymethyl)triazol-2-yl]methyl]-6-propan-2-ylchromen-2-one
CID 139049410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide (CID 110274494) is 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide is CC(C)c1ccc2oc(=O)cc(CNC(=O)C(Cl)c3ccccc3)c2c1.
What is the InChIKey of 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide?
The InChIKey is NUWTVHIEOAKAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-13(2)15-8-9-18-17(10-15)16(11-19(24)26-18)12-23-21(25)20(22)14-6-4-3-5-7-14/h3-11,13,20H,12H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide?
2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide has a molecular weight of 369.85 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110274494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).