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

C21H21FN2O2 — CID 8533422

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H21FN2O2/c1-24(2)14-16-5-3-15(4-6-16)13-23-21(25)20-12-11-19(26-20)17-7-9-18(22)10-8-17/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyBWGKSVWGGSMZDM-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.08
Rot. Bonds6

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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 8533422) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID8533422
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H21FN2O2/c1-24(2)14-16-5-3-15(4-6-16)13-23-21(25)20-12-11-19(26-20)17-7-9-18(22)10-8-17/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyBWGKSVWGGSMZDM-UHFFFAOYSA-N
XLogP4.08
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069417
N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 18133644
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 8533422) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide is CN(C)Cc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is BWGKSVWGGSMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-24(2)14-16-5-3-15(4-6-16)13-23-21(25)20-12-11-19(26-20)17-7-9-18(22)10-8-17/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 8533422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).