N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

C21H25FN2O3 — CID 51951505

IUPACN-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H25FN2O3/c22-17-11-9-16(10-12-17)20(15-5-1-2-6-15)24-19(25)8-3-13-23-21(26)18-7-4-14-27-18/h4,7,9-12,14-15,20H,1-3,5-6,8,13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyDBQAETUZUILAMC-FQEVSTJZSA-N
MW372.44 g/mol
LogP3.98
Rot. Bonds8

About N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51951505) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID51951505
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C21H25FN2O3/c22-17-11-9-16(10-12-17)20(15-5-1-2-6-15)24-19(25)8-3-13-23-21(26)18-7-4-14-27-18/h4,7,9-12,14-15,20H,1-3,5-6,8,13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyDBQAETUZUILAMC-FQEVSTJZSA-N
XLogP3.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39594557
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55525398
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 51951505) is N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)N[C@H](c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is DBQAETUZUILAMC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-17-11-9-16(10-12-17)20(15-5-1-2-6-15)24-19(25)8-3-13-23-21(26)18-7-4-14-27-18/h4,7,9-12,14-15,20H,1-3,5-6,8,13H2,(H,23,26)(H,24,25)/t20-/m0/s1.
What are the key properties of N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51951505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).