N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide

C21H19FN2O3 — CID 17403869

IUPACN-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H19FN2O3/c1-2-24(14-15-5-3-6-17(22)13-15)21(26)16-8-10-18(11-9-16)23-20(25)19-7-4-12-27-19/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyZZFQTYZOBGORQV-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.33
Rot. Bonds6

About N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17403869) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID17403869
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H19FN2O3/c1-2-24(14-15-5-3-6-17(22)13-15)21(26)16-8-10-18(11-9-16)23-20(25)19-7-4-12-27-19/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyZZFQTYZOBGORQV-UHFFFAOYSA-N
XLogP4.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51205488
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 18112182
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide (CID 17403869) is N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZZFQTYZOBGORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-2-24(14-15-5-3-6-17(22)13-15)21(26)16-8-10-18(11-9-16)23-20(25)19-7-4-12-27-19/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17403869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).