N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

C20H16ClFN2O3 — CID 18112182

IUPACN-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-15-16(21)4-2-5-17(15)22)20(26)13-7-9-14(10-8-13)23-19(25)18-6-3-11-27-18/h2-11H,12H2,1H3,(H,23,25)
InChIKeyMTNOTMVALCUORH-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.60
Rot. Bonds5

About N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 18112182) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID18112182
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC NameN-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16ClFN2O3/c1-24(12-15-16(21)4-2-5-17(15)22)20(26)13-7-9-14(10-8-13)23-19(25)18-6-3-11-27-18/h2-11H,12H2,1H3,(H,23,25)
InChIKeyMTNOTMVALCUORH-UHFFFAOYSA-N
XLogP4.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330714
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[5-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55491705
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
CID 18112215
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 18112182) is N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is MTNOTMVALCUORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-24(12-15-16(21)4-2-5-17(15)22)20(26)13-7-9-14(10-8-13)23-19(25)18-6-3-11-27-18/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18112182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).