N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide

C16H16N2O3 — CID 7686997

IUPACN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1N1CCCC1=O
InChIInChI=1S/C16H16N2O3/c1-11-6-7-12(17-16(20)14-4-3-9-21-14)10-13(11)18-8-2-5-15(18)19/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,17,20)
InChIKeyJBWMNNZACUUXNY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.97
Rot. Bonds3

About N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 7686997) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID7686997
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1N1CCCC1=O
InChIInChI=1S/C16H16N2O3/c1-11-6-7-12(17-16(20)14-4-3-9-21-14)10-13(11)18-8-2-5-15(18)19/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,17,20)
InChIKeyJBWMNNZACUUXNY-UHFFFAOYSA-N
XLogP2.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 7687540
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7686963
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide (CID 7686997) is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is JBWMNNZACUUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-7-12(17-16(20)14-4-3-9-21-14)10-13(11)18-8-2-5-15(18)19/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,17,20).
What are the key properties of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide?
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7686997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).