methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate

C14H11F2NO4 — CID 75385054

IUPACmethyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H11F2NO4/c1-17(8-3-4-9(15)10(16)7-8)13(18)11-5-6-12(21-11)14(19)20-2/h3-7H,1-2H3
InChIKeyPWLWXLABNYPZPH-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.62
Rot. Bonds3

About methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate

methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate (PubChem CID 75385054) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
PubChem CID75385054
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Namemethyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H11F2NO4/c1-17(8-3-4-9(15)10(16)7-8)13(18)11-5-6-12(21-11)14(19)20-2/h3-7H,1-2H3
InChIKeyPWLWXLABNYPZPH-UHFFFAOYSA-N
XLogP2.62
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
methyl 4-[[4,5-di(propan-2-yl)furan-2-carbonyl]-methylamino]benzoate
CID 67395454

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate (CID 75385054) is methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate is COC(=O)c1ccc(C(=O)N(C)c2ccc(F)c(F)c2)o1.
What is the InChIKey of methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate?
The InChIKey is PWLWXLABNYPZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-17(8-3-4-9(15)10(16)7-8)13(18)11-5-6-12(21-11)14(19)20-2/h3-7H,1-2H3.
What are the key properties of methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate?
methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate has a molecular weight of 295.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate is sourced from PubChem (CID 75385054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).