N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

C20H17ClFNO5 — CID 4973849

IUPACN-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc2c1OC
InChIInChI=1S/C20H17ClFNO5/c1-10-12-5-7-16(26-2)19(27-3)18(12)28-20(25)13(10)9-17(24)23-11-4-6-15(22)14(21)8-11/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyLSVISVSBZNMMOO-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.09
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 4973849) has the molecular formula C20H17ClFNO5 and a molecular weight of 405.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID4973849
Molecular FormulaC20H17ClFNO5
Molecular Weight405.81 g/mol
Exact Mass405.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc2c1OC
InChIInChI=1S/C20H17ClFNO5/c1-10-12-5-7-16(26-2)19(27-3)18(12)28-20(25)13(10)9-17(24)23-11-4-6-15(22)14(21)8-11/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyLSVISVSBZNMMOO-UHFFFAOYSA-N
XLogP4.09
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.09
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-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4871526
N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4897686
methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
CID 4868951
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 71692042
methyl 2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 71754264
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237690
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 6237197
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
CID 56723679
2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 5200064

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 4973849) is N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)oc2c1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is LSVISVSBZNMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO5/c1-10-12-5-7-16(26-2)19(27-3)18(12)28-20(25)13(10)9-17(24)23-11-4-6-15(22)14(21)8-11/h4-8H,9H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 405.81 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4973849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).