N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide

C20H13F2NO4 — CID 71656325

IUPACN-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide
SMILESCOc1ccc2c(=O)c(C#CC(=O)NCc3ccc(F)c(F)c3)coc2c1
InChIInChI=1S/C20H13F2NO4/c1-26-14-4-5-15-18(9-14)27-11-13(20(15)25)3-7-19(24)23-10-12-2-6-16(21)17(22)8-12/h2,4-6,8-9,11H,10H2,1H3,(H,23,24)
InChIKeyWLJVIEZZMMWMFT-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.75
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide

N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide (PubChem CID 71656325) has the molecular formula C20H13F2NO4 and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide
PubChem CID71656325
Molecular FormulaC20H13F2NO4
Molecular Weight369.32 g/mol
Exact Mass369.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide
SMILESCOc1ccc2c(=O)c(C#CC(=O)NCc3ccc(F)c(F)c3)coc2c1
InChIInChI=1S/C20H13F2NO4/c1-26-14-4-5-15-18(9-14)27-11-13(20(15)25)3-7-19(24)23-10-12-2-6-16(21)17(22)8-12/h2,4-6,8-9,11H,10H2,1H3,(H,23,24)
InChIKeyWLJVIEZZMMWMFT-UHFFFAOYSA-N
XLogP2.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8638025
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
3-(2-methoxyethynyl)-7-(methoxymethoxy)chromen-4-one
CID 140728408
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enoate
CID 6953675
methyl N-[(E)-(7-methoxy-4-oxochromen-3-yl)methylideneamino]carbamate
CID 177382504

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide (CID 71656325) is N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide is COc1ccc2c(=O)c(C#CC(=O)NCc3ccc(F)c(F)c3)coc2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide?
The InChIKey is WLJVIEZZMMWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO4/c1-26-14-4-5-15-18(9-14)27-11-13(20(15)25)3-7-19(24)23-10-12-2-6-16(21)17(22)8-12/h2,4-6,8-9,11H,10H2,1H3,(H,23,24).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide?
N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide has a molecular weight of 369.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-(7-methoxy-4-oxochromen-3-yl)prop-2-ynamide is sourced from PubChem (CID 71656325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).