N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

C20H19FN2O2 — CID 31969106

IUPACN-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN2O2/c1-23(2)13-15-5-3-4-6-17(15)22-20(24)19-12-11-18(25-19)14-7-9-16(21)10-8-14/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyUEKCQAVVCOJLQC-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.40
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 31969106) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID31969106
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN2O2/c1-23(2)13-15-5-3-4-6-17(15)22-20(24)19-12-11-18(25-19)14-7-9-16(21)10-8-14/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyUEKCQAVVCOJLQC-UHFFFAOYSA-N
XLogP4.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 3436050
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 119032734
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 17424931
[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069417
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 38438530
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 31969106) is N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is CN(C)Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is UEKCQAVVCOJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-23(2)13-15-5-3-4-6-17(15)22-20(24)19-12-11-18(25-19)14-7-9-16(21)10-8-14/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 31969106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).