N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide

C17H19FN2O2 — CID 119567729

IUPACN-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESNCC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1
InChIInChI=1S/C17H19FN2O2/c18-13-5-3-12(4-6-13)14-7-8-15(22-14)16(21)20-17(11-19)9-1-2-10-17/h3-8H,1-2,9-11,19H2,(H,20,21)
InChIKeyPGAWKOYLEQOJCS-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 119567729) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID119567729
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESNCC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1
InChIInChI=1S/C17H19FN2O2/c18-13-5-3-12(4-6-13)14-7-8-15(22-14)16(21)20-17(11-19)9-1-2-10-17/h3-8H,1-2,9-11,19H2,(H,20,21)
InChIKeyPGAWKOYLEQOJCS-UHFFFAOYSA-N
XLogP3.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119568561
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(4-fluorophenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)furan-2-carboxamide
CID 55378466
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone;hydrochloride
CID 120805886

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 119567729) is N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide is NCC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is PGAWKOYLEQOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-13-5-3-12(4-6-13)14-7-8-15(22-14)16(21)20-17(11-19)9-1-2-10-17/h3-8H,1-2,9-11,19H2,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 119567729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).