N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide

C20H17F2NO6 — CID 39966511

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3cccc(OC)c3oc2=O)ccc1OC(F)F
InChIInChI=1S/C20H17F2NO6/c1-26-15-5-3-4-12-9-13(19(25)29-17(12)15)18(24)23-10-11-6-7-14(28-20(21)22)16(8-11)27-2/h3-9,20H,10H2,1-2H3,(H,23,24)
InChIKeyBQBDCZZUDYWNQG-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.34
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 39966511) has the molecular formula C20H17F2NO6 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID39966511
Molecular FormulaC20H17F2NO6
Molecular Weight405.35 g/mol
Exact Mass405.10
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3cccc(OC)c3oc2=O)ccc1OC(F)F
InChIInChI=1S/C20H17F2NO6/c1-26-15-5-3-4-12-9-13(19(25)29-17(12)15)18(24)23-10-11-6-7-14(28-20(21)22)16(8-11)27-2/h3-9,20H,10H2,1-2H3,(H,23,24)
InChIKeyBQBDCZZUDYWNQG-UHFFFAOYSA-N
XLogP3.34
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338
N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046574
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 26549786
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 39966511) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cc(CNC(=O)c2cc3cccc(OC)c3oc2=O)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is BQBDCZZUDYWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO6/c1-26-15-5-3-4-12-9-13(19(25)29-17(12)15)18(24)23-10-11-6-7-14(28-20(21)22)16(8-11)27-2/h3-9,20H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 39966511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).