N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide

C18H14ClFN2O3 — CID 6488652

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)c(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H14ClFN2O3/c1-11-8-15(21-17(23)16-6-3-7-25-16)18(24)22(9-11)10-12-13(19)4-2-5-14(12)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAMBMWYHLGQNGPY-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.84
Rot. Bonds4

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide (PubChem CID 6488652) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide
PubChem CID6488652
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)c(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H14ClFN2O3/c1-11-8-15(21-17(23)16-6-3-7-25-16)18(24)22(9-11)10-12-13(19)4-2-5-14(12)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyAMBMWYHLGQNGPY-UHFFFAOYSA-N
XLogP3.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ML348
CID 3238952
N-{(1Z)-1-(4-chlorophenyl)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-2-yl}furan-2-carboxamide
CID 1367315
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
N-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1252875
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
N-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2236865
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825
{2-[(Furan-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158556
N-[3-[(2,3-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 4784828
2-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-6-fluorobenzamide
CID 4879644
N-[2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 5766751

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide (CID 6488652) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)c(=O)n(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide?
The InChIKey is AMBMWYHLGQNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-11-8-15(21-17(23)16-6-3-7-25-16)18(24)22(9-11)10-12-13(19)4-2-5-14(12)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 6488652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).