N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C19H16ClNO4 — CID 7565223

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c1-12(15-4-2-3-5-16(15)20)21-18(22)11-24-14-8-6-13-7-9-19(23)25-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyFIONNHKFBCUSAW-GFCCVEGCSA-N
MW357.79 g/mol
LogP3.70
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 7565223) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID7565223
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl
InChIInChI=1S/C19H16ClNO4/c1-12(15-4-2-3-5-16(15)20)21-18(22)11-24-14-8-6-13-7-9-19(23)25-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyFIONNHKFBCUSAW-GFCCVEGCSA-N
XLogP3.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652890
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55750209
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 7565223) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FIONNHKFBCUSAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-12(15-4-2-3-5-16(15)20)21-18(22)11-24-14-8-6-13-7-9-19(23)25-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 357.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 7565223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).