N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C18H20N2O3 — CID 35336962

IUPACN-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)o2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)14-5-4-6-15(11-14)19-18(22)17-8-7-16(23-17)12-20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,22)
InChIKeyUEVSXSVULDLLNF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.33
Rot. Bonds5

About N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 35336962) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID35336962
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)o2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)14-5-4-6-15(11-14)19-18(22)17-8-7-16(23-17)12-20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,22)
InChIKeyUEVSXSVULDLLNF-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19416107
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 35336962) is N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is UEVSXSVULDLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)14-5-4-6-15(11-14)19-18(22)17-8-7-16(23-17)12-20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 35336962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).