N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C21H18ClFN2O3 — CID 134024767

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(Cn2ccccc2=O)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H18ClFN2O3/c22-17-4-3-5-18(23)16(17)13-25(14-7-8-14)21(27)19-10-9-15(28-19)12-24-11-2-1-6-20(24)26/h1-6,9-11,14H,7-8,12-13H2
InChIKeyBEQCOYBKRYKTQX-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.09
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024767) has the molecular formula C21H18ClFN2O3 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024767
Molecular FormulaC21H18ClFN2O3
Molecular Weight400.84 g/mol
Exact Mass400.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(Cn2ccccc2=O)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H18ClFN2O3/c22-17-4-3-5-18(23)16(17)13-25(14-7-8-14)21(27)19-10-9-15(28-19)12-24-11-2-1-6-20(24)26/h1-6,9-11,14H,7-8,12-13H2
InChIKeyBEQCOYBKRYKTQX-UHFFFAOYSA-N
XLogP4.09
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-benzyl-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38253946
N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 37483914
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
N-(3-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 33282899
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024895
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(3-pyrazol-1-ylpropyl)urea
CID 121494478
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024767) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(c1ccc(Cn2ccccc2=O)o1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is BEQCOYBKRYKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3/c22-17-4-3-5-18(23)16(17)13-25(14-7-8-14)21(27)19-10-9-15(28-19)12-24-11-2-1-6-20(24)26/h1-6,9-11,14H,7-8,12-13H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).