N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

C20H19FN2O4 — CID 9252835

IUPACN-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2c(CN(C)CC(=O)Nc3ccc(F)cc3)cc(=O)oc2c1
InChIInChI=1S/C20H19FN2O4/c1-23(12-19(24)22-15-5-3-14(21)4-6-15)11-13-9-20(25)27-18-10-16(26-2)7-8-17(13)18/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyLGHUDMNFVDAAAX-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.01
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (PubChem CID 9252835) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
PubChem CID9252835
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2c(CN(C)CC(=O)Nc3ccc(F)cc3)cc(=O)oc2c1
InChIInChI=1S/C20H19FN2O4/c1-23(12-19(24)22-15-5-3-14(21)4-6-15)11-13-9-20(25)27-18-10-16(26-2)7-8-17(13)18/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyLGHUDMNFVDAAAX-UHFFFAOYSA-N
XLogP3.01
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 75457324
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (CID 9252835) is N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is COc1ccc2c(CN(C)CC(=O)Nc3ccc(F)cc3)cc(=O)oc2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The InChIKey is LGHUDMNFVDAAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-23(12-19(24)22-15-5-3-14(21)4-6-15)11-13-9-20(25)27-18-10-16(26-2)7-8-17(13)18/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide has a molecular weight of 370.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9252835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).