N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide

C17H18N2O3 — CID 18153751

IUPACN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccoc1
InChIInChI=1S/C17H18N2O3/c20-16(15-7-10-22-12-15)18-11-13-3-5-14(6-4-13)17(21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2,(H,18,20)
InChIKeyKXBCVDLBDXWHHN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.45
Rot. Bonds4

About N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 18153751) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
PubChem CID18153751
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccoc1
InChIInChI=1S/C17H18N2O3/c20-16(15-7-10-22-12-15)18-11-13-3-5-14(6-4-13)17(21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2,(H,18,20)
InChIKeyKXBCVDLBDXWHHN-UHFFFAOYSA-N
XLogP2.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide (CID 18153751) is N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccoc1.
What is the InChIKey of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is KXBCVDLBDXWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(15-7-10-22-12-15)18-11-13-3-5-14(6-4-13)17(21)19-8-1-2-9-19/h3-7,10,12H,1-2,8-9,11H2,(H,18,20).
What are the key properties of N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 18153751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).